# generated using pymatgen data_Ni3MoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77482706 _cell_length_b 3.55108447 _cell_length_c 6.77125138 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni3MoP2 _chemical_formula_sum 'Ni6 Mo2 P4' _cell_volume 138.85736586 _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 0.97078589 0.75000000 0.84567420 1.0 Ni Ni1 1 0.47078589 0.75000000 0.65432580 1.0 Ni Ni2 1 0.13974691 0.25000000 0.57709581 1.0 Ni Ni3 1 0.63974691 0.25000000 0.92290419 1.0 Ni Ni4 1 0.86392928 0.75000000 0.44624326 1.0 Ni Ni5 1 0.36392928 0.75000000 0.05375674 1.0 Mo Mo6 1 0.03162295 0.25000000 0.17584036 1.0 Mo Mo7 1 0.53162295 0.25000000 0.32415964 1.0 P P8 1 0.75250863 0.25000000 0.62202507 1.0 P P9 1 0.25250863 0.25000000 0.87797493 1.0 P P10 1 0.24140733 0.75000000 0.38036170 1.0 P P11 1 0.74140733 0.75000000 0.11963830 1.0