data_[Cs1Tb1Sn2Br8]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8908]
_cell_length_b [7.3830]
_cell_length_c [9.8879]
_cell_angle_alpha [83.3340]
_cell_angle_beta [85.8364]
_cell_angle_gamma [86.3306]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTb(SnBr4)2]
_chemical_formula_sum '[Cs1 Tb1 Sn2 Br8]'
_cell_volume [497.5427]
_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  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4748  0.4789  0.7540  1.0
  Br  Br3  2  0.2248  0.3199  0.9686  1.0
  Br  Br4  2  0.2434  0.8413  0.7998  1.0
  Br  Br5  2  0.2533  0.8542  0.2035  1.0
  Br  Br6  2  0.2627  0.3935  0.5544  1.0
]