# generated using pymatgen data_BaTbF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52283700 _cell_length_b 8.80757484 _cell_length_c 8.94320076 _cell_angle_alpha 102.21319684 _cell_angle_beta 96.58808808 _cell_angle_gamma 113.45840052 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTbF6 _chemical_formula_sum 'Ba4 Tb4 F24' _cell_volume 518.03593495 _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 Ba Ba0 1 0.28802900 0.76582200 0.54269700 1.0 Ba Ba1 1 0.29871300 0.31591900 0.76743900 1.0 Ba Ba2 1 0.71197100 0.23417800 0.45730300 1.0 Ba Ba3 1 0.70128700 0.68408100 0.23256100 1.0 Tb Tb4 1 0.77026600 0.21794200 0.93813800 1.0 Tb Tb5 1 0.17443500 0.26204200 0.27592800 1.0 Tb Tb6 1 0.22973400 0.78205800 0.06186200 1.0 Tb Tb7 1 0.82556500 0.73795800 0.72407200 1.0 F F8 1 0.09013300 0.96511600 0.69385300 1.0 F F9 1 0.40214000 0.62760200 0.99573400 1.0 F F10 1 0.90986700 0.03488400 0.30614700 1.0 F F11 1 0.23991400 0.04646900 0.14130400 1.0 F F12 1 0.76008600 0.95353100 0.85869600 1.0 F F13 1 0.08964700 0.75621400 0.26926600 1.0 F F14 1 0.87873000 0.61042300 0.49717900 1.0 F F15 1 0.12929000 0.72081000 0.79611100 1.0 F F16 1 0.48909700 0.62852200 0.70145000 1.0 F F17 1 0.31362300 0.17840600 0.46756200 1.0 F F18 1 0.09568000 0.24025800 0.01460500 1.0 F F19 1 0.30704300 0.54773500 0.28962000 1.0 F F20 1 0.69295700 0.45226500 0.71038000 1.0 F F21 1 0.59786000 0.37239800 0.00426600 1.0 F F22 1 0.87071000 0.27919000 0.20388900 1.0 F F23 1 0.51919900 0.10212100 0.71804100 1.0 F F24 1 0.50000000 0.00000000 0.00000000 1.0 F F25 1 0.90432000 0.75974200 0.98539500 1.0 F F26 1 0.91035300 0.24378600 0.73073400 1.0 F F27 1 0.48080100 0.89787900 0.28195900 1.0 F F28 1 0.51090300 0.37147800 0.29855000 1.0 F F29 1 0.00000000 0.50000000 0.00000000 1.0 F F30 1 0.12127000 0.38957700 0.50282100 1.0 F F31 1 0.68637700 0.82159400 0.53243800 1.0