# generated using pymatgen data_Fe3Mo3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82401350 _cell_length_b 7.82401350 _cell_length_c 7.82401350 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3Mo3C _chemical_formula_sum 'Fe12 Mo12 C4' _cell_volume 338.66769749 _cell_formula_units_Z 4 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 Fe Fe0 1 0.12500000 0.62500000 0.62500000 1.0 Fe Fe1 1 0.62500000 0.12500000 0.62500000 1.0 Fe Fe2 1 0.62500000 0.62500000 0.12500000 1.0 Fe Fe3 1 0.62500000 0.62500000 0.62500000 1.0 Fe Fe4 1 0.73015600 0.42328100 0.42328100 1.0 Fe Fe5 1 0.42328100 0.73015600 0.42328100 1.0 Fe Fe6 1 0.42328100 0.42328100 0.73015600 1.0 Fe Fe7 1 0.42328100 0.42328100 0.42328100 1.0 Fe Fe8 1 0.51984400 0.82671900 0.82671900 1.0 Fe Fe9 1 0.82671900 0.51984400 0.82671900 1.0 Fe Fe10 1 0.82671900 0.82671900 0.51984400 1.0 Fe Fe11 1 0.82671900 0.82671900 0.82671900 1.0 Mo Mo12 1 0.79699700 0.79699700 0.20300300 1.0 Mo Mo13 1 0.20300300 0.20300300 0.79699700 1.0 Mo Mo14 1 0.79699700 0.20300300 0.79699700 1.0 Mo Mo15 1 0.20300300 0.79699700 0.20300300 1.0 Mo Mo16 1 0.20300300 0.79699700 0.79699700 1.0 Mo Mo17 1 0.79699700 0.20300300 0.20300300 1.0 Mo Mo18 1 0.45300300 0.45300300 0.04699700 1.0 Mo Mo19 1 0.04699700 0.04699700 0.45300300 1.0 Mo Mo20 1 0.45300300 0.04699700 0.45300300 1.0 Mo Mo21 1 0.04699700 0.45300300 0.04699700 1.0 Mo Mo22 1 0.04699700 0.45300300 0.45300300 1.0 Mo Mo23 1 0.45300300 0.04699700 0.04699700 1.0 C C24 1 0.62500000 0.12500000 0.12500000 1.0 C C25 1 0.12500000 0.62500000 0.12500000 1.0 C C26 1 0.12500000 0.12500000 0.62500000 1.0 C C27 1 0.12500000 0.12500000 0.12500000 1.0