# generated using pymatgen data_RbCuCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06061256 _cell_length_b 7.06061256 _cell_length_c 5.97463400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000521 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbCuCl3 _chemical_formula_sum 'Rb2 Cu2 Cl6' _cell_volume 257.94474003 _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 Rb Rb0 1 0.66666700 0.33333300 0.25000000 1.0 Rb Rb1 1 0.33333300 0.66666700 0.75000000 1.0 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu3 1 0.00000000 0.00000000 0.50000000 1.0 Cl Cl4 1 0.31775900 0.15887900 0.75000000 1.0 Cl Cl5 1 0.68224100 0.84112100 0.25000000 1.0 Cl Cl6 1 0.15887900 0.31775900 0.25000000 1.0 Cl Cl7 1 0.84112100 0.15887900 0.75000000 1.0 Cl Cl8 1 0.15887900 0.84112100 0.25000000 1.0 Cl Cl9 1 0.84112100 0.68224100 0.75000000 1.0