# generated using pymatgen data_RbTlF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64435100 _cell_length_b 9.29356500 _cell_length_c 13.38360200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbTlF3 _chemical_formula_sum 'Rb8 Tl8 F24' _cell_volume 826.43351417 _cell_formula_units_Z 8 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 0.24452800 0.00000000 0.88207000 1.0 Rb Rb1 1 0.74452800 0.00000000 0.61793000 1.0 Rb Rb2 1 0.75547200 0.00000000 0.11793000 1.0 Rb Rb3 1 0.25547200 0.00000000 0.38207000 1.0 Rb Rb4 1 0.22213500 0.50000000 0.86945800 1.0 Rb Rb5 1 0.72213500 0.50000000 0.63054200 1.0 Rb Rb6 1 0.77786500 0.50000000 0.13054200 1.0 Rb Rb7 1 0.27786500 0.50000000 0.36945800 1.0 Tl Tl8 1 0.74286800 0.25018100 0.87459200 1.0 Tl Tl9 1 0.24286800 0.74981900 0.62540800 1.0 Tl Tl10 1 0.25713200 0.25018100 0.12540800 1.0 Tl Tl11 1 0.75713200 0.74981900 0.37459200 1.0 Tl Tl12 1 0.25713200 0.74981900 0.12540800 1.0 Tl Tl13 1 0.75713200 0.25018100 0.37459200 1.0 Tl Tl14 1 0.74286800 0.74981900 0.87459200 1.0 Tl Tl15 1 0.24286800 0.25018100 0.62540800 1.0 F F16 1 0.75517700 0.00000000 0.83289100 1.0 F F17 1 0.25517700 0.00000000 0.66710900 1.0 F F18 1 0.24482300 0.00000000 0.16710900 1.0 F F19 1 0.74482300 0.00000000 0.33289100 1.0 F F20 1 0.75444800 0.50000000 0.91632400 1.0 F F21 1 0.25444800 0.50000000 0.58367600 1.0 F F22 1 0.24555200 0.50000000 0.08367600 1.0 F F23 1 0.74555200 0.50000000 0.41632400 1.0 F F24 1 0.97738600 0.29892400 0.74202000 1.0 F F25 1 0.47738600 0.70107600 0.75798000 1.0 F F26 1 0.02261400 0.29892400 0.25798000 1.0 F F27 1 0.52261400 0.70107600 0.24202000 1.0 F F28 1 0.02261400 0.70107600 0.25798000 1.0 F F29 1 0.52261400 0.29892400 0.24202000 1.0 F F30 1 0.97738600 0.70107600 0.74202000 1.0 F F31 1 0.47738600 0.29892400 0.75798000 1.0 F F32 1 0.00000000 0.19420900 0.50000000 1.0 F F33 1 0.50000000 0.80579100 0.00000000 1.0 F F34 1 0.00000000 0.80579100 0.50000000 1.0 F F35 1 0.50000000 0.19420900 0.00000000 1.0 F F36 1 0.00000000 0.21044700 0.00000000 1.0 F F37 1 0.50000000 0.78955300 0.50000000 1.0 F F38 1 0.00000000 0.78955300 0.00000000 1.0 F F39 1 0.50000000 0.21044700 0.50000000 1.0