data_[Tb4Br8Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2625]
_cell_length_b [12.2300]
_cell_length_c [7.0842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbBr2Cl]
_chemical_formula_sum '[Tb4 Br8 Cl4]'
_cell_volume [593.4227]
_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  0.1647  0.0000  1
  Br  Br1  8  0.2415  0.1782  0.7595  1
  Cl  Cl2  4  0.1979  0.0000  0.2235  1
]