data_[Cs1Tb1Au2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tb  1.1000  1.7500  0.9815
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.9026]
_cell_length_b [7.9906]
_cell_length_c [10.1699]
_cell_angle_alpha [67.5923]
_cell_angle_beta [68.3188]
_cell_angle_gamma [60.4154]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTb(AuI3)2]
_chemical_formula_sum '[Cs1 Tb1 Au2 I6]'
_cell_volume [503.0100]
_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  0.0000  0.0000  0.5000  1.0
  Tb  Tb1  1  0.5000  0.5000  0.0000  1.0
  Au  Au2  2  0.2293  0.2216  0.8136  1.0
  I  I3  2  0.1267  0.7439  0.1962  1.0
  I  I4  2  0.2499  0.5576  0.8045  1.0
  I  I5  2  0.4410  0.1229  0.2057  1.0
]