data_[Cs1Tb2Ag1Br8]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0908]
_cell_length_b [8.5647]
_cell_length_c [9.0073]
_cell_angle_alpha [102.3453]
_cell_angle_beta [105.9117]
_cell_angle_gamma [99.6945]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTb2AgBr8]
_chemical_formula_sum '[Cs1 Tb2 Ag1 Br8]'
_cell_volume [498.6651]
_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  0.5000  0.0000  1.0
  Tb  Tb1  2  0.0407  0.2514  0.4947  1.0
  Ag  Ag2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1886  0.8423  0.8471  1.0
  Br  Br4  2  0.2089  0.9774  0.4076  1.0
  Br  Br5  2  0.2283  0.5502  0.4374  1.0
  Br  Br6  2  0.3263  0.3458  0.7853  1.0
]