# generated using pymatgen data_La3CrReC6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.51243791 _cell_length_b 8.51244319 _cell_length_c 5.31306753 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99995310 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3CrReC6 _chemical_formula_sum 'La6 Cr2 Re2 C12' _cell_volume 333.41440276 _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 La La0 1 0.61570469 0.69810704 0.75000000 1.0 La La1 1 0.91759799 0.61570524 0.25000000 1.0 La La2 1 0.69811238 0.08240359 0.25000000 1.0 La La3 1 0.30188762 0.91759641 0.75000000 1.0 La La4 1 0.08240201 0.38429476 0.75000000 1.0 La La5 1 0.38429531 0.30189296 0.25000000 1.0 Cr Cr6 1 0.00000000 0.00000000 0.50000000 1.0 Cr Cr7 1 0.00000000 0.00000000 0.00000000 1.0 Re Re8 1 0.66665983 0.33332124 0.75000000 1.0 Re Re9 1 0.33334017 0.66667876 0.25000000 1.0 C C10 1 0.94885616 0.77377021 0.75000000 1.0 C C11 1 0.17508331 0.94885568 0.25000000 1.0 C C12 1 0.77377033 0.82491607 0.25000000 1.0 C C13 1 0.22622967 0.17508393 0.75000000 1.0 C C14 1 0.82491669 0.05114432 0.75000000 1.0 C C15 1 0.05114384 0.22622979 0.25000000 1.0 C C16 1 0.85530538 0.58790553 0.75000000 1.0 C C17 1 0.26739914 0.85531330 0.25000000 1.0 C C18 1 0.58791268 0.73260480 0.25000000 1.0 C C19 1 0.41208732 0.26739520 0.75000000 1.0 C C20 1 0.14469462 0.41209447 0.25000000 1.0 C C21 1 0.73260086 0.14468670 0.75000000 1.0