# generated using pymatgen data_CsCrC6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17386700 _cell_length_b 5.17386700 _cell_length_c 5.17386700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsCrC6 _chemical_formula_sum 'Cs1 Cr1 C6' _cell_volume 138.49872696 _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 Cs Cs0 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr1 1 0.50000000 0.50000000 0.50000000 1.0 C C2 1 0.12248300 0.50000000 0.50000000 1.0 C C3 1 0.87751700 0.50000000 0.50000000 1.0 C C4 1 0.50000000 0.12248300 0.50000000 1.0 C C5 1 0.50000000 0.50000000 0.12248300 1.0 C C6 1 0.50000000 0.87751700 0.50000000 1.0 C C7 1 0.50000000 0.50000000 0.87751700 1.0