# generated using pymatgen data_Rb3Ti2Br9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50427752 _cell_length_b 7.50427760 _cell_length_c 18.56935129 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000384 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb3Ti2Br9 _chemical_formula_sum 'Rb6 Ti4 Br18' _cell_volume 905.61816418 _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 0.93163733 1.0 Rb Rb1 1 0.33333300 0.66666700 0.43163733 1.0 Rb Rb2 1 0.00000000 0.00000000 0.25000000 1.0 Rb Rb3 1 0.33333300 0.66666700 0.06836267 1.0 Rb Rb4 1 0.00000000 0.00000000 0.75000000 1.0 Rb Rb5 1 0.66666700 0.33333300 0.56836267 1.0 Ti Ti6 1 0.33333300 0.66666700 0.66511074 1.0 Ti Ti7 1 0.66666700 0.33333300 0.16511074 1.0 Ti Ti8 1 0.33333300 0.66666700 0.83488926 1.0 Ti Ti9 1 0.66666700 0.33333300 0.33488926 1.0 Br Br10 1 0.49771698 0.50228302 0.75000000 1.0 Br Br11 1 0.50228302 0.49771698 0.25000000 1.0 Br Br12 1 0.17147514 0.34295029 0.90936873 1.0 Br Br13 1 0.34295029 0.17147514 0.40936873 1.0 Br Br14 1 0.65704971 0.82852486 0.90936873 1.0 Br Br15 1 0.99543496 0.49771698 0.25000000 1.0 Br Br16 1 0.49771698 0.99543496 0.75000000 1.0 Br Br17 1 0.00456504 0.50228302 0.75000000 1.0 Br Br18 1 0.82852486 0.17147514 0.40936873 1.0 Br Br19 1 0.82852486 0.65704971 0.40936873 1.0 Br Br20 1 0.17147514 0.34295029 0.59063127 1.0 Br Br21 1 0.17147514 0.82852486 0.59063127 1.0 Br Br22 1 0.34295029 0.17147514 0.09063127 1.0 Br Br23 1 0.65704971 0.82852486 0.59063127 1.0 Br Br24 1 0.50228302 0.00456504 0.25000000 1.0 Br Br25 1 0.17147514 0.82852486 0.90936873 1.0 Br Br26 1 0.82852486 0.65704971 0.09063127 1.0 Br Br27 1 0.82852486 0.17147514 0.09063127 1.0