# generated using pymatgen data_Ni4Mo6P2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63876858 _cell_length_b 7.63876829 _cell_length_c 7.63876805 _cell_angle_alpha 59.99999677 _cell_angle_beta 59.99999803 _cell_angle_gamma 59.99999743 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni4Mo6P2C _chemical_formula_sum 'Ni8 Mo12 P4 C2' _cell_volume 315.17734230 _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 0.33054782 0.33054782 0.00835553 1.0 Ni Ni1 1 0.33054782 0.33054782 0.33054782 1.0 Ni Ni2 1 0.24164447 0.91945218 0.91945218 1.0 Ni Ni3 1 0.91945218 0.91945218 0.91945218 1.0 Ni Ni4 1 0.00835553 0.33054782 0.33054782 1.0 Ni Ni5 1 0.33054782 0.00835553 0.33054782 1.0 Ni Ni6 1 0.91945218 0.91945218 0.24164447 1.0 Ni Ni7 1 0.91945218 0.24164447 0.91945218 1.0 Mo Mo8 1 0.30552512 0.69447488 0.69447488 1.0 Mo Mo9 1 0.69447488 0.69447488 0.30552512 1.0 Mo Mo10 1 0.69447488 0.30552512 0.69447488 1.0 Mo Mo11 1 0.30552512 0.69447488 0.30552512 1.0 Mo Mo12 1 0.55552512 0.94447488 0.55552512 1.0 Mo Mo13 1 0.55552512 0.94447488 0.94447488 1.0 Mo Mo14 1 0.94447488 0.55552512 0.55552512 1.0 Mo Mo15 1 0.94447488 0.55552512 0.94447488 1.0 Mo Mo16 1 0.30552512 0.30552512 0.69447488 1.0 Mo Mo17 1 0.55552512 0.55552512 0.94447488 1.0 Mo Mo18 1 0.94447488 0.94447488 0.55552512 1.0 Mo Mo19 1 0.69447488 0.30552512 0.30552512 1.0 P P20 1 0.12500000 0.62500000 0.12500000 1.0 P P21 1 0.12500000 0.12500000 0.62500000 1.0 P P22 1 0.62500000 0.12500000 0.12500000 1.0 P P23 1 0.12500000 0.12500000 0.12500000 1.0 C C24 1 0.50000000 0.50000000 0.50000000 1.0 C C25 1 0.75000000 0.75000000 0.75000000 1.0