data_[Tb1Au1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Au  2.5400  1.3500  1.0700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.8020]
_cell_length_b [5.4564]
_cell_length_c [5.9094]
_cell_angle_alpha [87.7906]
_cell_angle_beta [71.9740]
_cell_angle_gamma [85.3429]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbAuF6]
_chemical_formula_sum '[Tb1 Au1 F6]'
_cell_volume [116.1766]
_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
[
  Tb  Tb0  1  0.0000  0.5000  0.5000  1.0
  Au  Au1  1  0.0000  0.0000  0.0000  1.0
  F  F2  2  0.1607  0.6759  0.1073  1.0
  F  F3  2  0.1929  0.1665  0.2231  1.0
  F  F4  2  0.4952  0.7219  0.4575  1.0
]