# generated using pymatgen data_CsRb14Tl27 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.64776526 _cell_length_b 10.64776526 _cell_length_c 18.15640500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999543 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsRb14Tl27 _chemical_formula_sum 'Cs1 Rb14 Tl27' _cell_volume 1782.69665654 _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 0.50000000 1.0 Rb Rb1 1 0.38919300 0.38919300 0.81693300 1.0 Rb Rb2 1 0.61080700 0.00000000 0.81693300 1.0 Rb Rb3 1 0.00000000 0.61080700 0.81693300 1.0 Rb Rb4 1 0.38919300 0.38919300 0.18306700 1.0 Rb Rb5 1 0.61080700 0.00000000 0.18306700 1.0 Rb Rb6 1 0.00000000 0.61080700 0.18306700 1.0 Rb Rb7 1 0.33333300 0.66666700 0.00000000 1.0 Rb Rb8 1 0.66666700 0.33333300 0.00000000 1.0 Rb Rb9 1 0.72777600 0.72777600 0.68874100 1.0 Rb Rb10 1 0.27222400 0.00000000 0.68874100 1.0 Rb Rb11 1 0.00000000 0.27222400 0.68874100 1.0 Rb Rb12 1 0.72777600 0.72777600 0.31125900 1.0 Rb Rb13 1 0.27222400 0.00000000 0.31125900 1.0 Rb Rb14 1 0.00000000 0.27222400 0.31125900 1.0 Tl Tl15 1 0.00000000 0.00000000 0.85041700 1.0 Tl Tl16 1 0.00000000 0.00000000 0.14958300 1.0 Tl Tl17 1 0.21133100 0.21133100 0.00000000 1.0 Tl Tl18 1 0.78866900 0.00000000 0.00000000 1.0 Tl Tl19 1 0.00000000 0.78866900 0.00000000 1.0 Tl Tl20 1 0.71603900 0.71603900 0.90855500 1.0 Tl Tl21 1 0.28396100 0.00000000 0.90855500 1.0 Tl Tl22 1 0.00000000 0.28396100 0.90855500 1.0 Tl Tl23 1 0.71603900 0.71603900 0.09144500 1.0 Tl Tl24 1 0.28396100 0.00000000 0.09144500 1.0 Tl Tl25 1 0.00000000 0.28396100 0.09144500 1.0 Tl Tl26 1 0.82728500 0.29293400 0.50000000 1.0 Tl Tl27 1 0.70706600 0.53435100 0.50000000 1.0 Tl Tl28 1 0.46564900 0.17271500 0.50000000 1.0 Tl Tl29 1 0.29293400 0.82728500 0.50000000 1.0 Tl Tl30 1 0.53435100 0.70706600 0.50000000 1.0 Tl Tl31 1 0.17271500 0.46564900 0.50000000 1.0 Tl Tl32 1 0.38250400 0.38250400 0.60001900 1.0 Tl Tl33 1 0.61749600 0.00000000 0.60001900 1.0 Tl Tl34 1 0.00000000 0.61749600 0.60001900 1.0 Tl Tl35 1 0.38250400 0.38250400 0.39998100 1.0 Tl Tl36 1 0.61749600 0.00000000 0.39998100 1.0 Tl Tl37 1 0.00000000 0.61749600 0.39998100 1.0 Tl Tl38 1 0.66666700 0.33333300 0.65645400 1.0 Tl Tl39 1 0.66666700 0.33333300 0.34354600 1.0 Tl Tl40 1 0.33333300 0.66666700 0.65645400 1.0 Tl Tl41 1 0.33333300 0.66666700 0.34354600 1.0