# generated using pymatgen data_Fe6BMo6C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.85224909 _cell_length_b 7.85224909 _cell_length_c 7.85224909 _cell_angle_alpha 120.12460071 _cell_angle_beta 119.83216871 _cell_angle_gamma 90.03762931 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe6BMo6C _chemical_formula_sum 'Fe12 B2 Mo12 C2' _cell_volume 342.45651955 _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 Fe Fe0 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe1 1 0.50000000 0.50000000 0.00000000 1.0 Fe Fe2 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe3 1 0.50000000 0.50000000 0.50000000 1.0 Fe Fe4 1 0.60606400 0.70200200 0.90406200 1.0 Fe Fe5 1 0.29794100 0.70200200 0.59593800 1.0 Fe Fe6 1 0.29785900 0.39372800 0.59586900 1.0 Fe Fe7 1 0.29785900 0.70199000 0.90413100 1.0 Fe Fe8 1 0.39393600 0.29799800 0.09593800 1.0 Fe Fe9 1 0.70205900 0.29799800 0.40406200 1.0 Fe Fe10 1 0.70214100 0.60627200 0.40413100 1.0 Fe Fe11 1 0.70214100 0.29801000 0.09586900 1.0 B B12 1 0.00000000 0.50000000 0.00000000 1.0 B B13 1 0.00000000 0.00000000 0.50000000 1.0 Mo Mo14 1 0.33269800 0.07740700 0.65843900 1.0 Mo Mo15 1 0.33269800 0.67425900 0.25529100 1.0 Mo Mo16 1 0.32728300 0.07728300 0.25000000 1.0 Mo Mo17 1 0.91896800 0.67425900 0.84156100 1.0 Mo Mo18 1 0.91896800 0.07740700 0.24470900 1.0 Mo Mo19 1 0.91906300 0.66906300 0.25000000 1.0 Mo Mo20 1 0.66730200 0.92259300 0.34156100 1.0 Mo Mo21 1 0.66730200 0.32574100 0.74470900 1.0 Mo Mo22 1 0.67271700 0.92271700 0.75000000 1.0 Mo Mo23 1 0.08103200 0.32574100 0.15843900 1.0 Mo Mo24 1 0.08103200 0.92259300 0.75529100 1.0 Mo Mo25 1 0.08093700 0.33093700 0.75000000 1.0 C C26 1 0.50000000 0.00000000 0.50000000 1.0 C C27 1 0.00000000 0.00000000 0.00000000 1.0