# generated using pymatgen data_Cr21(FeC3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46313307 _cell_length_b 7.46313307 _cell_length_c 7.46313307 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr21(FeC3)2 _chemical_formula_sum 'Cr21 Fe2 C6' _cell_volume 293.93314222 _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 Cr Cr0 1 0.33919000 0.00000000 0.00000000 1.0 Cr Cr1 1 0.66081000 0.00000000 0.00000000 1.0 Cr Cr2 1 0.00000000 0.33919000 0.66081000 1.0 Cr Cr3 1 0.00000000 0.66081000 0.33919000 1.0 Cr Cr4 1 0.00000000 0.33919000 0.00000000 1.0 Cr Cr5 1 0.66081000 0.00000000 0.33919000 1.0 Cr Cr6 1 0.00000000 0.66081000 0.00000000 1.0 Cr Cr7 1 0.33919000 0.00000000 0.66081000 1.0 Cr Cr8 1 0.00000000 0.00000000 0.33919000 1.0 Cr Cr9 1 0.00000000 0.00000000 0.66081000 1.0 Cr Cr10 1 0.66081000 0.33919000 0.00000000 1.0 Cr Cr11 1 0.33919000 0.66081000 0.00000000 1.0 Cr Cr12 1 0.38197700 0.38197700 0.38197700 1.0 Cr Cr13 1 0.61802300 0.61802300 0.61802300 1.0 Cr Cr14 1 0.38197700 0.38197700 0.85406800 1.0 Cr Cr15 1 0.38197700 0.85406800 0.38197700 1.0 Cr Cr16 1 0.61802300 0.61802300 0.14593200 1.0 Cr Cr17 1 0.61802300 0.14593200 0.61802300 1.0 Cr Cr18 1 0.85406800 0.38197700 0.38197700 1.0 Cr Cr19 1 0.14593200 0.61802300 0.61802300 1.0 Cr Cr20 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe21 1 0.25000000 0.25000000 0.25000000 1.0 Fe Fe22 1 0.75000000 0.75000000 0.75000000 1.0 C C23 1 0.72299000 0.27701000 0.27701000 1.0 C C24 1 0.27701000 0.72299000 0.72299000 1.0 C C25 1 0.27701000 0.72299000 0.27701000 1.0 C C26 1 0.72299000 0.27701000 0.72299000 1.0 C C27 1 0.27701000 0.27701000 0.72299000 1.0 C C28 1 0.72299000 0.72299000 0.27701000 1.0