data_image0 _chemical_formula_structural Br36Pt12 _chemical_formula_sum "Br36 Pt12" _cell_length_a 8.958093000000058 _cell_length_b 12.948084671057956 _cell_length_c 12.948084671057956 _cell_angle_alpha 114.84877038877319 _cell_angle_beta 103.33332370310902 _cell_angle_gamma 103.33332370310902 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br1 1.0 0.03721082620000012 0.5078986798000001 0.6526217709 1.0000 Br Br2 1.0 0.050058854399999866 0.7612842652999998 0.3330392273999998 1.0000 Br Br3 1.0 0.07768755200000005 0.2620143280000001 0.9743339603000002 1.0000 Br Br4 1.0 0.1033529437999999 0.02566529429999991 0.28767916949999994 1.0000 Br Br5 1.0 0.15372720959999997 0.5279065403 0.9452846758 1.0000 Br Br6 1.0 0.1606202968000001 0.7765012617000002 0.6221558709 1.0000 Br Br7 1.0 0.18432632250000003 0.28768041620000034 0.2620139237 1.0000 Br Br8 1.0 0.20844289990000012 0.05471609860000006 0.5826221884 1.0000 Br Br9 1.0 0.23054939730000013 0.8164874716000001 0.9216408138000001 1.0000 Br Br10 1.0 0.2829809704 0.3330391510000002 0.5717544865 1.0000 Br Br11 1.0 0.2887744080000001 0.5717548901000001 0.23871526340000004 1.0000 Br Br12 1.0 0.3089086367 0.07835945229999997 0.8948465513 1.0000 Br Br13 1.0 0.37417994970000024 0.5826218461000001 0.5279060714 1.0000 Br Br14 1.0 0.38411885100000015 0.8456547908000002 0.2234980044 1.0000 Br Br15 1.0 0.38458944969999986 0.3473786779999999 0.8552776430999999 1.0000 Br Br16 1.0 0.4140624521 0.10515394549999994 0.18351350419999993 1.0000 Br Br17 1.0 0.46153669610000003 0.6221563813000001 0.8456551206000001 1.0000 Br Br18 1.0 0.4706885028 0.8552770263 0.5078981657999998 1.0000 Br Br19 1.0 0.5293123315 0.1447230531 0.4921019135 1.0000 Br Br20 1.0 0.5384641382 0.3778436981 0.1543449588 1.0000 Br Br21 1.0 0.5859372659 0.8948461338000001 0.8164865750999999 1.0000 Br Br22 1.0 0.6154113846999999 0.6526214013999999 0.1447224363999999 1.0000 Br Br23 1.0 0.6158819833999998 0.1543452885999999 0.776502075 1.0000 Br Br24 1.0 0.6258203555000001 0.4173774396000001 0.4720932142000001 1.0000 Br Br25 1.0 0.6910905521999998 0.9216398334 0.10515273439999985 1.0000 Br Br26 1.0 0.7112264263000003 0.42824518920000015 0.7612848159000001 1.0000 Br Br27 1.0 0.7170193347000002 0.6669601345000002 0.4282447991 1.0000 Br Br28 1.0 0.7694503207 0.18351260779999998 0.07835926549999996 1.0000 Br Br29 1.0 0.7915579344000001 0.9452839808000001 0.4173778908999999 1.0000 Br Br30 1.0 0.8156733955000001 0.7123196632000002 0.7379861557 1.0000 Br Br31 1.0 0.8393800084 0.2234980240000001 0.37784341480000005 1.0000 Br Br32 1.0 0.8462736247999998 0.47209353910000007 0.054715403700000144 1.0000 Br Br33 1.0 0.8966467742000004 0.9743347851000003 0.7123209099 1.0000 Br Br34 1.0 0.9223121659999999 0.7379857513000001 0.025666119099999954 1.0000 Br Br35 1.0 0.9499419798999998 0.23871581400000014 0.6669608519000001 1.0000 Br Br36 1.0 0.9627894788999999 0.49210060580000003 0.3473775147 1.0000 Pt Pt1 1.0 0.06352968440000026 0.8946630792000001 0.8160615652999998 1.0000 Pt Pt2 1.0 0.16886711130000015 0.9213993848 0.10533754039999993 1.0000 Pt Pt3 1.0 0.21271727660000014 0.4315502217000002 0.7582978229999999 1.0000 Pt Pt4 1.0 0.21883184040000017 0.6732529292000001 0.4315507306999999 1.0000 Pt Pt5 1.0 0.2474676383999999 0.18393803229999994 0.07860047419999996 1.0000 Pt Pt6 1.0 0.45441982379999996 0.2417027430000001 0.6732529432000001 1.0000 Pt Pt7 1.0 0.5455787779000001 0.7582973364000002 0.32674713609999995 1.0000 Pt Pt8 1.0 0.7525315505000001 0.8160612534000002 0.9213988115000001 1.0000 Pt Pt9 1.0 0.7811667612999998 0.32674715009999994 0.5684493486 1.0000 Pt Pt10 1.0 0.7872813250999999 0.5684498577 0.24170225639999998 1.0000 Pt Pt11 1.0 0.8311326068 0.0786006946000001 0.8946625391000002 1.0000 Pt Pt12 1.0 0.9364700335999999 0.10533700009999998 0.18393851399999994 1.0000