# generated using pymatgen data_RbCuCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99294500 _cell_length_b 7.03708621 _cell_length_c 12.56544249 _cell_angle_alpha 90.53775336 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.79272299 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbCuCl3 _chemical_formula_sum 'Rb4 Cu4 Cl12' _cell_volume 536.58596993 _cell_formula_units_Z 4 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 0.68475900 0.33305300 0.37476600 1.0 Rb Rb1 1 0.35170600 0.66694700 0.12523400 1.0 Rb Rb2 1 0.31524100 0.66694700 0.62523400 1.0 Rb Rb3 1 0.64829400 0.33305300 0.87476600 1.0 Cu Cu4 1 0.04498500 0.00000000 0.25000000 1.0 Cu Cu5 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu6 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu7 1 0.95501400 0.00000000 0.75000000 1.0 Cl Cl8 1 0.12300300 0.85788400 0.86234800 1.0 Cl Cl9 1 0.73488100 0.85788400 0.36234800 1.0 Cl Cl10 1 0.85311600 0.67447600 0.08887000 1.0 Cl Cl11 1 0.26511900 0.14211600 0.63765200 1.0 Cl Cl12 1 0.81194600 0.17334900 0.65043100 1.0 Cl Cl13 1 0.82136000 0.67447600 0.58887000 1.0 Cl Cl14 1 0.18805400 0.82665100 0.34956900 1.0 Cl Cl15 1 0.36140300 0.17334900 0.15043100 1.0 Cl Cl16 1 0.63859700 0.82665100 0.84956900 1.0 Cl Cl17 1 0.87699700 0.14211600 0.13765200 1.0 Cl Cl18 1 0.14688400 0.32552400 0.91113000 1.0 Cl Cl19 1 0.17864000 0.32552400 0.41113000 1.0