# generated using pymatgen data_Ni6Mo2P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52751400 _cell_length_b 5.67483200 _cell_length_c 12.84886000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni6Mo2P3 _chemical_formula_sum 'Ni12 Mo4 P6' _cell_volume 257.20911328 _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 0.50000000 0.45186800 0.09859300 1.0 Ni Ni1 1 0.50000000 0.06284800 0.00000000 1.0 Ni Ni2 1 0.50000000 0.36226600 0.71001200 1.0 Ni Ni3 1 0.00000000 0.93715200 0.50000000 1.0 Ni Ni4 1 0.00000000 0.63773400 0.78998800 1.0 Ni Ni5 1 0.00000000 0.63773400 0.21001200 1.0 Ni Ni6 1 0.50000000 0.26862600 0.50000000 1.0 Ni Ni7 1 0.00000000 0.73137400 0.00000000 1.0 Ni Ni8 1 0.50000000 0.45186800 0.90140700 1.0 Ni Ni9 1 0.50000000 0.36226600 0.28998800 1.0 Ni Ni10 1 0.00000000 0.54813200 0.59859300 1.0 Ni Ni11 1 0.00000000 0.54813200 0.40140700 1.0 Mo Mo12 1 0.50000000 0.88382800 0.66764100 1.0 Mo Mo13 1 0.00000000 0.11617200 0.83235900 1.0 Mo Mo14 1 0.00000000 0.11617200 0.16764100 1.0 Mo Mo15 1 0.50000000 0.88382800 0.33235900 1.0 P P16 1 0.00000000 0.17549700 0.36201400 1.0 P P17 1 0.50000000 0.82450300 0.86201400 1.0 P P18 1 0.00000000 0.32792900 0.00000000 1.0 P P19 1 0.50000000 0.67207100 0.50000000 1.0 P P20 1 0.50000000 0.82450300 0.13798600 1.0 P P21 1 0.00000000 0.17549700 0.63798600 1.0