data_[Cs4Tb4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.4971]
_cell_length_b [5.7520]
_cell_length_c [10.8909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsTbBr4]
_chemical_formula_sum '[Cs4 Tb4 Br16]'
_cell_volume [1246.2806]
_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
[
  Cs  Cs0  4  0.2122  0.0000  0.2309  1.0
  Tb  Tb1  4  0.0959  0.0000  0.6380  1.0
  Br  Br2  4  0.0437  0.0000  0.3642  1.0
  Br  Br3  4  0.0956  0.5000  0.6349  1.0
  Br  Br4  4  0.1508  0.0000  0.8918  1.0
  Br  Br5  4  0.2208  0.0000  0.5871  1.0
]