data_image0 _chemical_formula_structural Ni2P2Se6 _chemical_formula_sum "Ni2 P2 Se6" _cell_length_a 5.954513108321781 _cell_length_b 6.112756164315704 _cell_length_c 6.112756164315704 _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 Ni Ni1 1.0 0.7499999999999999 0.33333333333333326 0.6666666666666665 1.0000 Ni Ni2 1.0 0.24999999999999997 0.6666666666666666 0.33333333333333326 1.0000 P P1 1.0 0.4999999999999999 0.0 0.0 1.0000 P P2 1.0 6.360001053617362e-30 1.0662392303457418e-31 0.0 1.0000 Se Se1 1.0 0.24999999999999994 0.17727010657950293 0.822729893420497 1.0000 Se Se2 1.0 0.24999999999999997 0.17727010657950296 0.3545402131590059 1.0000 Se Se3 1.0 0.24999999999999994 0.645459786840994 0.8227298934204973 1.0000 Se Se4 1.0 0.7499999999999999 0.8227298934204974 0.17727010657950298 1.0000 Se Se5 1.0 0.75 0.822729893420497 0.6454597868409938 1.0000 Se Se6 1.0 0.7499999999999997 0.35454021315900597 0.17727010657950298 1.0000