# generated using pymatgen data_Ni5Mo6PC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.64755522 _cell_length_b 7.64755462 _cell_length_c 7.62464916 _cell_angle_alpha 60.09902470 _cell_angle_beta 60.09902728 _cell_angle_gamma 60.34261028 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni5Mo6PC _chemical_formula_sum 'Ni10 Mo12 P2 C2' _cell_volume 316.60209159 _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 0.32715798 0.32715798 0.00619400 1.0 Ni Ni1 1 0.32715798 0.32715798 0.33948905 1.0 Ni Ni2 1 0.24890588 0.92342233 0.91383689 1.0 Ni Ni3 1 0.92284202 0.92284202 0.91051095 1.0 Ni Ni4 1 0.00109412 0.32657767 0.33616311 1.0 Ni Ni5 1 0.32657767 0.00109412 0.33616311 1.0 Ni Ni6 1 0.12500000 0.62500000 0.12500000 1.0 Ni Ni7 1 0.62500000 0.12500000 0.12500000 1.0 Ni Ni8 1 0.92284202 0.92284202 0.24380600 1.0 Ni Ni9 1 0.92342233 0.24890588 0.91383689 1.0 Mo Mo10 1 0.30171865 0.69457365 0.70046179 1.0 Mo Mo11 1 0.70014065 0.70014065 0.29985935 1.0 Mo Mo12 1 0.69457365 0.30171865 0.70046179 1.0 Mo Mo13 1 0.30171865 0.69457365 0.30324590 1.0 Mo Mo14 1 0.55542635 0.94828135 0.54953821 1.0 Mo Mo15 1 0.55542635 0.94828135 0.94675410 1.0 Mo Mo16 1 0.94828135 0.55542635 0.54953821 1.0 Mo Mo17 1 0.94828135 0.55542635 0.94675410 1.0 Mo Mo18 1 0.30402037 0.30402037 0.69597963 1.0 Mo Mo19 1 0.54985935 0.54985935 0.95014065 1.0 Mo Mo20 1 0.94597963 0.94597963 0.55402037 1.0 Mo Mo21 1 0.69457365 0.30171865 0.30324590 1.0 P P22 1 0.12500000 0.12500000 0.62500000 1.0 P P23 1 0.12500000 0.12500000 0.12500000 1.0 C C24 1 0.50210531 0.50210531 0.49789469 1.0 C C25 1 0.74789469 0.74789469 0.75210531 1.0