data_[Tb4Tl8Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.4458]
_cell_length_b [9.0600]
_cell_length_c [8.7639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TbTl2Br5]
_chemical_formula_sum '[Tb4 Tl8 Br20]'
_cell_volume [1067.6075]
_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  0.0059  0.7500  0.9249  1
  Tl  Tl1  8  0.1700  0.5085  0.4185  1
  Br  Br2  8  0.0638  0.0477  0.8319  1
  Br  Br3  4  0.0079  0.7500  0.5892  1
  Br  Br4  4  0.1884  0.7500  0.0928  1
  Br  Br5  4  0.2011  0.2500  0.1447  1
]