# generated using pymatgen data_Cs4YbBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.78147997 _cell_length_b 9.78147961 _cell_length_c 9.78147937 _cell_angle_alpha 88.59863186 _cell_angle_beta 88.59863313 _cell_angle_gamma 88.59862723 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs4YbBr6 _chemical_formula_sum 'Cs8 Yb2 Br12' _cell_volume 935.03970759 _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 Cs Cs0 1 0.25000000 0.25000000 0.25000000 1.0 Cs Cs1 1 0.75000000 0.75000000 0.75000000 1.0 Cs Cs2 1 0.25000000 0.62260895 0.87739105 1.0 Cs Cs3 1 0.87739105 0.25000000 0.62260895 1.0 Cs Cs4 1 0.62260895 0.87739105 0.25000000 1.0 Cs Cs5 1 0.75000000 0.37739105 0.12260895 1.0 Cs Cs6 1 0.12260895 0.75000000 0.37739105 1.0 Cs Cs7 1 0.37739105 0.12260895 0.75000000 1.0 Yb Yb8 1 0.00000000 0.00000000 0.00000000 1.0 Yb Yb9 1 0.50000000 0.50000000 0.50000000 1.0 Br Br10 1 0.56212638 0.21945389 0.43019037 1.0 Br Br11 1 0.43019037 0.56212638 0.21945389 1.0 Br Br12 1 0.21945389 0.43019037 0.56212638 1.0 Br Br13 1 0.93787362 0.06980963 0.28054611 1.0 Br Br14 1 0.28054611 0.93787362 0.06980963 1.0 Br Br15 1 0.06980963 0.28054611 0.93787362 1.0 Br Br16 1 0.43787362 0.78054611 0.56980963 1.0 Br Br17 1 0.56980963 0.43787362 0.78054611 1.0 Br Br18 1 0.78054611 0.56980963 0.43787362 1.0 Br Br19 1 0.06212638 0.93019037 0.71945389 1.0 Br Br20 1 0.93019037 0.71945389 0.06212638 1.0 Br Br21 1 0.71945389 0.06212638 0.93019037 1.0