# generated using pymatgen data_Cr22MoC6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50202111 _cell_length_b 7.50202111 _cell_length_c 7.50202111 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr22MoC6 _chemical_formula_sum 'Cr22 Mo1 C6' _cell_volume 298.55190587 _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 0.75000000 0.75000000 0.75000000 1.0 Cr Cr1 1 0.25000000 0.25000000 0.25000000 1.0 Cr Cr2 1 0.61819000 0.61819000 0.14543000 1.0 Cr Cr3 1 0.61819000 0.14543000 0.61819000 1.0 Cr Cr4 1 0.14543000 0.61819000 0.61819000 1.0 Cr Cr5 1 0.61819000 0.61819000 0.61819000 1.0 Cr Cr6 1 0.38181000 0.38181000 0.85457000 1.0 Cr Cr7 1 0.38181000 0.85457000 0.38181000 1.0 Cr Cr8 1 0.85457000 0.38181000 0.38181000 1.0 Cr Cr9 1 0.38181000 0.38181000 0.38181000 1.0 Cr Cr10 1 0.00000000 0.00000000 0.34503300 1.0 Cr Cr11 1 0.65496700 0.00000000 0.34503300 1.0 Cr Cr12 1 0.00000000 0.65496700 0.34503300 1.0 Cr Cr13 1 0.65496700 0.34503300 0.00000000 1.0 Cr Cr14 1 0.00000000 0.34503300 0.00000000 1.0 Cr Cr15 1 0.00000000 0.34503300 0.65496700 1.0 Cr Cr16 1 0.34503300 0.65496700 0.00000000 1.0 Cr Cr17 1 0.34503300 0.00000000 0.65496700 1.0 Cr Cr18 1 0.34503300 0.00000000 0.00000000 1.0 Cr Cr19 1 0.00000000 0.00000000 0.65496700 1.0 Cr Cr20 1 0.00000000 0.65496700 0.00000000 1.0 Cr Cr21 1 0.65496700 0.00000000 0.00000000 1.0 Mo Mo22 1 0.00000000 0.00000000 0.00000000 1.0 C C23 1 0.72452200 0.72452200 0.27547800 1.0 C C24 1 0.27547800 0.72452200 0.27547800 1.0 C C25 1 0.72452200 0.27547800 0.27547800 1.0 C C26 1 0.27547800 0.27547800 0.72452200 1.0 C C27 1 0.72452200 0.27547800 0.72452200 1.0 C C28 1 0.27547800 0.72452200 0.72452200 1.0