data_image0 _chemical_formula_structural Sn2Be2Cu4S8 _chemical_formula_sum "Sn2 Be2 Cu4 S8" _cell_length_a 7.3028787045549715 _cell_length_b 6.431776693771283 _cell_length_c 6.133870891681115 _cell_angle_alpha 90.00000249388991 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _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 Sn Sn1 1.0 0.4999999999999998 0.15303893606128358 0.49473822449997523 1.0000 Sn Sn2 1.0 7.757041315753222e-18 0.8469609525273035 0.9947382251586393 1.0000 Be Be1 1.0 0.4999999999999999 0.8305757144959517 0.9981461364600283 1.0000 Be Be2 1.0 8.88331798467554e-18 0.1694241590408409 0.49814611889823507 1.0000 Cu Cu1 1.0 0.7518067955401972 0.6714516430264865 0.4875399956734786 1.0000 Cu Cu2 1.0 0.2481932044598025 0.6714516430264865 0.4875399956734786 1.0000 Cu Cu3 1.0 0.748193212658546 0.32854832903318254 0.9875400062241704 1.0000 Cu Cu4 1.0 0.25180678734145384 0.32854832903318254 0.9875400062241704 1.0000 S S1 1.0 0.4999999999999998 0.1431249017729078 0.0966871354640695 1.0000 S S2 1.0 7.378210190150365e-18 0.8568750005760793 0.596687161347717 1.0000 S S3 1.0 0.4999999999999999 0.8087881176539283 0.6534637294066836 1.0000 S S4 1.0 7.968977489746157e-18 0.19121180912263522 0.15346370906416998 1.0000 S S5 1.0 0.7268549589581145 0.6607058146327532 0.12036307276292739 1.0000 S S6 1.0 0.2731450410418856 0.6607058146327532 0.1203630727629274 1.0000 S S7 1.0 0.773145045525768 0.3392941284940545 0.6203630533253925 1.0000 S S8 1.0 0.22685495447423057 0.3392941284940545 0.6203630533253925 1.0000