data_[Cs6Tb2Br12]
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 [P2_1/c]
_cell_length_a [8.4805]
_cell_length_b [8.9813]
_cell_length_c [14.6763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs3TbBr6]
_chemical_formula_sum '[Cs6 Tb2 Br12]'
_cell_volume [922.0130]
_cell_formula_units_Z [2]
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  0.2805  0.5689  0.2549  1.0
  Cs  Cs1  2  0.5000  0.0000  0.5000  1.0
  Tb  Tb2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.1049  0.5460  0.7185  1.0
  Br  Br4  4  0.2297  0.2382  0.5675  1.0
  Br  Br5  4  0.3182  0.6728  0.5483  1.0
]