# generated using pymatgen data_Fe7C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51734400 _cell_length_b 6.85711200 _cell_length_c 11.76210700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe7C3 _chemical_formula_sum 'Fe28 C12' _cell_volume 364.34224720 _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 0.94200100 0.56374700 0.19095900 1.0 Fe Fe1 1 0.05799900 0.43625300 0.80904100 1.0 Fe Fe2 1 0.42303600 0.75000000 0.12790300 1.0 Fe Fe3 1 0.69777300 0.75000000 0.80059800 1.0 Fe Fe4 1 0.80222700 0.25000000 0.30059800 1.0 Fe Fe5 1 0.30222700 0.25000000 0.19940200 1.0 Fe Fe6 1 0.94200100 0.93625300 0.19095900 1.0 Fe Fe7 1 0.27542800 0.25000000 0.41228400 1.0 Fe Fe8 1 0.22457200 0.75000000 0.91228400 1.0 Fe Fe9 1 0.44200100 0.56374700 0.30904100 1.0 Fe Fe10 1 0.25241900 0.06633000 0.01615300 1.0 Fe Fe11 1 0.05799900 0.06374700 0.80904100 1.0 Fe Fe12 1 0.44200100 0.93625300 0.30904100 1.0 Fe Fe13 1 0.57696400 0.25000000 0.87209700 1.0 Fe Fe14 1 0.74758100 0.56633000 0.98384700 1.0 Fe Fe15 1 0.24758100 0.93367000 0.51615300 1.0 Fe Fe16 1 0.19777300 0.75000000 0.69940200 1.0 Fe Fe17 1 0.74758100 0.93367000 0.98384700 1.0 Fe Fe18 1 0.24758100 0.56633000 0.51615300 1.0 Fe Fe19 1 0.55799900 0.06374700 0.69095900 1.0 Fe Fe20 1 0.77542800 0.25000000 0.08771600 1.0 Fe Fe21 1 0.92303600 0.75000000 0.37209700 1.0 Fe Fe22 1 0.72457200 0.75000000 0.58771600 1.0 Fe Fe23 1 0.25241900 0.43367000 0.01615300 1.0 Fe Fe24 1 0.75241900 0.43367000 0.48384700 1.0 Fe Fe25 1 0.07696400 0.25000000 0.62790300 1.0 Fe Fe26 1 0.75241900 0.06633000 0.48384700 1.0 Fe Fe27 1 0.55799900 0.43625300 0.69095900 1.0 C C28 1 0.04355500 0.02607200 0.35206800 1.0 C C29 1 0.95644500 0.97392800 0.64793200 1.0 C C30 1 0.54355500 0.47392800 0.14793200 1.0 C C31 1 0.46738000 0.25000000 0.56133900 1.0 C C32 1 0.45644500 0.97392800 0.85206800 1.0 C C33 1 0.45644500 0.52607200 0.85206800 1.0 C C34 1 0.04355500 0.47392800 0.35206800 1.0 C C35 1 0.96738000 0.25000000 0.93866100 1.0 C C36 1 0.95644500 0.52607200 0.64793200 1.0 C C37 1 0.03262000 0.75000000 0.06133900 1.0 C C38 1 0.53262000 0.75000000 0.43866100 1.0 C C39 1 0.54355500 0.02607200 0.14793200 1.0