# generated using pymatgen data_Fe2SiMo3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.87587289 _cell_length_b 7.87587314 _cell_length_c 7.87587333 _cell_angle_alpha 60.00000336 _cell_angle_beta 60.00000232 _cell_angle_gamma 60.00000018 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2SiMo3C _chemical_formula_sum 'Fe8 Si4 Mo12 C4' _cell_volume 345.44678479 _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 0.20529128 0.20529128 0.20529128 1.0 Fe Fe1 1 0.20529128 0.20529128 0.88412617 1.0 Fe Fe2 1 0.88412617 0.20529128 0.20529128 1.0 Fe Fe3 1 0.20529128 0.88412617 0.20529128 1.0 Fe Fe4 1 0.79470872 0.79470872 0.79470872 1.0 Fe Fe5 1 0.79470872 0.79470872 0.11587383 1.0 Fe Fe6 1 0.79470872 0.11587383 0.79470872 1.0 Fe Fe7 1 0.11587383 0.79470872 0.79470872 1.0 Si Si8 1 0.00000000 0.00000000 0.00000000 1.0 Si Si9 1 0.00000000 0.00000000 0.50000100 1.0 Si Si10 1 0.50000100 0.00000000 0.00000000 1.0 Si Si11 1 0.00000000 0.50000100 0.00000000 1.0 Mo Mo12 1 0.81962255 0.43037645 0.43037645 1.0 Mo Mo13 1 0.43037445 0.81962455 0.81962455 1.0 Mo Mo14 1 0.43037645 0.81962255 0.43037645 1.0 Mo Mo15 1 0.43037645 0.43037645 0.81962255 1.0 Mo Mo16 1 0.81962455 0.43037445 0.81962455 1.0 Mo Mo17 1 0.81962455 0.81962455 0.43037445 1.0 Mo Mo18 1 0.56962355 0.18037745 0.56962355 1.0 Mo Mo19 1 0.18037645 0.56962455 0.18037645 1.0 Mo Mo20 1 0.18037745 0.56962355 0.56962355 1.0 Mo Mo21 1 0.56962355 0.56962355 0.18037745 1.0 Mo Mo22 1 0.56962455 0.18037645 0.18037645 1.0 Mo Mo23 1 0.18037645 0.18037645 0.56962455 1.0 C C24 1 0.50000000 0.50000000 0.50000000 1.0 C C25 1 0.50000000 0.50000000 0.00000100 1.0 C C26 1 0.00000100 0.50000000 0.50000000 1.0 C C27 1 0.50000000 0.00000100 0.50000000 1.0