# generated using pymatgen data_Fe21(MoC3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42002501 _cell_length_b 7.42002501 _cell_length_c 7.42002501 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe21(MoC3)2 _chemical_formula_sum 'Fe21 Mo2 C6' _cell_volume 288.86911390 _cell_formula_units_Z 1 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 0.33941600 0.00000000 0.66058400 1.0 Fe Fe1 1 0.00000000 0.33941600 0.66058400 1.0 Fe Fe2 1 0.15063700 0.61645400 0.61645400 1.0 Fe Fe3 1 0.66058400 0.00000000 0.00000000 1.0 Fe Fe4 1 0.61645400 0.15063700 0.61645400 1.0 Fe Fe5 1 0.66058400 0.33941600 0.00000000 1.0 Fe Fe6 1 0.00000000 0.66058400 0.33941600 1.0 Fe Fe7 1 0.00000000 0.33941600 0.00000000 1.0 Fe Fe8 1 0.33941600 0.66058400 0.00000000 1.0 Fe Fe9 1 0.00000000 0.00000000 0.33941600 1.0 Fe Fe10 1 0.66058400 0.00000000 0.33941600 1.0 Fe Fe11 1 0.00000000 0.66058400 0.00000000 1.0 Fe Fe12 1 0.38354600 0.38354600 0.84936300 1.0 Fe Fe13 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe14 1 0.33941600 0.00000000 0.00000000 1.0 Fe Fe15 1 0.38354600 0.84936300 0.38354600 1.0 Fe Fe16 1 0.61645400 0.61645400 0.15063700 1.0 Fe Fe17 1 0.38354600 0.38354600 0.38354600 1.0 Fe Fe18 1 0.00000000 0.00000000 0.66058400 1.0 Fe Fe19 1 0.61645400 0.61645400 0.61645400 1.0 Fe Fe20 1 0.84936300 0.38354600 0.38354600 1.0 Mo Mo21 1 0.25000000 0.25000000 0.25000000 1.0 Mo Mo22 1 0.75000000 0.75000000 0.75000000 1.0 C C23 1 0.72022000 0.27978000 0.72022000 1.0 C C24 1 0.72022000 0.27978000 0.27978000 1.0 C C25 1 0.72022000 0.72022000 0.27978000 1.0 C C26 1 0.27978000 0.27978000 0.72022000 1.0 C C27 1 0.27978000 0.72022000 0.72022000 1.0 C C28 1 0.27978000 0.72022000 0.27978000 1.0