# generated using pymatgen data_Ni6Mo6C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65938673 _cell_length_b 7.65949431 _cell_length_c 7.65938983 _cell_angle_alpha 60.00089460 _cell_angle_beta 60.00046578 _cell_angle_gamma 60.00087664 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni6Mo6C _chemical_formula_sum 'Ni12 Mo12 C2' _cell_volume 317.74638153 _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 0.33315910 0.33319364 0.00043252 1.0 Ni Ni1 1 0.33317791 0.33320854 0.33318093 1.0 Ni Ni2 1 0.24955372 0.91681217 0.91684422 1.0 Ni Ni3 1 0.91682354 0.91678681 0.91681543 1.0 Ni Ni4 1 0.00043204 0.33318937 0.33316321 1.0 Ni Ni5 1 0.33316823 0.00043028 0.33317650 1.0 Ni Ni6 1 0.12498944 0.62501195 0.12498565 1.0 Ni Ni7 1 0.12498803 0.12498690 0.62501262 1.0 Ni Ni8 1 0.62501246 0.12499019 0.12498807 1.0 Ni Ni9 1 0.12499868 0.12500314 0.12500153 1.0 Ni Ni10 1 0.91684800 0.91681328 0.24955288 1.0 Ni Ni11 1 0.91683456 0.24955775 0.91683177 1.0 Mo Mo12 1 0.30078180 0.69924308 0.69922606 1.0 Mo Mo13 1 0.69922682 0.69924295 0.30077939 1.0 Mo Mo14 1 0.69923963 0.30076806 0.69923879 1.0 Mo Mo15 1 0.30077625 0.69922478 0.30077305 1.0 Mo Mo16 1 0.55076603 0.94922756 0.55076683 1.0 Mo Mo17 1 0.55078681 0.94923671 0.94922205 1.0 Mo Mo18 1 0.94921447 0.55076205 0.55077922 1.0 Mo Mo19 1 0.94922246 0.55078324 0.94922682 1.0 Mo Mo20 1 0.30077883 0.30076126 0.69922111 1.0 Mo Mo21 1 0.55077956 0.55076311 0.94921562 1.0 Mo Mo22 1 0.94921967 0.94923825 0.55078777 1.0 Mo Mo23 1 0.69922084 0.30076339 0.30077791 1.0 C C24 1 0.50000102 0.50000145 0.50000131 1.0 C C25 1 0.75000109 0.75000108 0.75000073 1.0