data_[Tb4Cu8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.7457]
_cell_length_b [12.2598]
_cell_length_c [6.8881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb(CuBr3)2]
_chemical_formula_sum '[Tb4 Cu8 Br24]'
_cell_volume [1233.9528]
_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
[
  Tb  Tb0  4  0.0000  0.0975  0.7500  1.0
  Cu  Cu1  8  0.1152  0.4277  0.7729  1.0
  Br  Br2  8  0.1099  0.0696  0.1123  1.0
  Br  Br3  8  0.1217  0.4055  0.1174  1.0
  Br  Br4  8  0.1226  0.2530  0.6319  1.0
]