data_[Tb4Ag4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.7458]
_cell_length_b [5.7420]
_cell_length_c [8.2522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbAgBr4]
_chemical_formula_sum '[Tb4 Ag4 Br16]'
_cell_volume [987.4631]
_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  0.1795  0.0000  0.0770  1.0
  Ag  Ag1  4  0.1740  0.0000  0.5131  1.0
  Br  Br2  4  0.0806  0.0000  0.2085  1.0
  Br  Br3  4  0.1086  0.0000  0.7463  1.0
  Br  Br4  4  0.2022  0.5000  0.0630  1.0
  Br  Br5  4  0.2207  0.5000  0.6139  1.0
]