data_image0 _chemical_formula_structural Sc2P2Se6 _chemical_formula_sum "Sc2 P2 Se6" _cell_length_a 5.618723544606806 _cell_length_b 6.4820369462710605 _cell_length_c 6.482036946271061 _cell_angle_alpha 120.00000000000001 _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 Sc Sc1 1.0 0.7499999999999998 0.3333333333333333 0.6666666666666666 1.0000 Sc Sc2 1.0 0.24999999999999997 0.6666666666666666 0.3333333333333333 1.0000 P P1 1.0 0.49999999999999994 0.0 0.0 1.0000 P P2 1.0 0.0 1.9492569277120972e-31 6.246178890846141e-32 1.0000 Se Se1 1.0 0.24999999999999997 0.17827187070834363 0.8217281292916557 1.0000 Se Se2 1.0 0.24999999999999997 0.1782718707083439 0.35654374141668776 1.0000 Se Se3 1.0 0.24999999999999997 0.6434562585833119 0.8217281292916557 1.0000 Se Se4 1.0 0.7499999999999998 0.8217281292916558 0.17827187070834388 1.0000 Se Se5 1.0 0.75 0.8217281292916561 0.6434562585833119 1.0000 Se Se6 1.0 0.7499999999999998 0.3565437414166879 0.17827187070834388 1.0000