# generated using pymatgen data_NiMoP8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25150016 _cell_length_b 6.25150016 _cell_length_c 8.77279300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000173 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiMoP8 _chemical_formula_sum 'Ni2 Mo2 P16' _cell_volume 296.91832358 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 '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 Ni0 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo2 1 0.33333300 0.66666700 0.75000000 1.0 Mo Mo3 1 0.66666700 0.33333300 0.25000000 1.0 P P4 1 0.95514100 0.27531100 0.65332000 1.0 P P5 1 0.72468900 0.67983000 0.65332000 1.0 P P6 1 0.32017000 0.04485900 0.65332000 1.0 P P7 1 0.72468900 0.04485900 0.84668000 1.0 P P8 1 0.33333300 0.66666700 0.03677700 1.0 P P9 1 0.33333300 0.66666700 0.46322300 1.0 P P10 1 0.66666700 0.33333300 0.96322300 1.0 P P11 1 0.66666700 0.33333300 0.53677700 1.0 P P12 1 0.04485900 0.32017000 0.15332000 1.0 P P13 1 0.67983000 0.72468900 0.15332000 1.0 P P14 1 0.27531100 0.95514100 0.15332000 1.0 P P15 1 0.67983000 0.95514100 0.34668000 1.0 P P16 1 0.27531100 0.32017000 0.34668000 1.0 P P17 1 0.04485900 0.72468900 0.34668000 1.0 P P18 1 0.95514100 0.67983000 0.84668000 1.0 P P19 1 0.32017000 0.27531100 0.84668000 1.0