# generated using pymatgen data_Fe2Mo4C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.01598733 _cell_length_b 8.01598733 _cell_length_c 8.01598733 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2Mo4C _chemical_formula_sum 'Fe8 Mo16 C4' _cell_volume 364.21352454 _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 0.50615500 0.83128200 0.83128200 1.0 Fe Fe1 1 0.41871800 0.41871800 0.41871800 1.0 Fe Fe2 1 0.74384500 0.41871800 0.41871800 1.0 Fe Fe3 1 0.83128200 0.83128200 0.50615500 1.0 Fe Fe4 1 0.41871800 0.74384500 0.41871800 1.0 Fe Fe5 1 0.83128200 0.50615500 0.83128200 1.0 Fe Fe6 1 0.41871800 0.41871800 0.74384500 1.0 Fe Fe7 1 0.83128200 0.83128200 0.83128200 1.0 Mo Mo8 1 0.62500000 0.62500000 0.12500000 1.0 Mo Mo9 1 0.81117000 0.81117000 0.18883000 1.0 Mo Mo10 1 0.81117000 0.18883000 0.81117000 1.0 Mo Mo11 1 0.06117000 0.06117000 0.43883000 1.0 Mo Mo12 1 0.81117000 0.18883000 0.18883000 1.0 Mo Mo13 1 0.43883000 0.43883000 0.06117000 1.0 Mo Mo14 1 0.06117000 0.43883000 0.06117000 1.0 Mo Mo15 1 0.18883000 0.81117000 0.81117000 1.0 Mo Mo16 1 0.43883000 0.06117000 0.43883000 1.0 Mo Mo17 1 0.62500000 0.62500000 0.62500000 1.0 Mo Mo18 1 0.18883000 0.81117000 0.18883000 1.0 Mo Mo19 1 0.18883000 0.18883000 0.81117000 1.0 Mo Mo20 1 0.62500000 0.12500000 0.62500000 1.0 Mo Mo21 1 0.43883000 0.06117000 0.06117000 1.0 Mo Mo22 1 0.06117000 0.43883000 0.43883000 1.0 Mo Mo23 1 0.12500000 0.62500000 0.62500000 1.0 C C24 1 0.62500000 0.12500000 0.12500000 1.0 C C25 1 0.12500000 0.12500000 0.12500000 1.0 C C26 1 0.12500000 0.12500000 0.62500000 1.0 C C27 1 0.12500000 0.62500000 0.12500000 1.0