data_[Tb2Al2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6516]
_cell_length_b [13.5170]
_cell_length_c [6.6457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbAlBr6]
_chemical_formula_sum '[Tb2 Al2 Br12]'
_cell_volume [570.1436]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.0000  1
  Al  Al1  2  0.0000  0.5000  0.5000  1
  Br  Br2  8  0.2219  0.3656  0.7229  1
  Br  Br3  4  0.2410  0.5000  0.2605  1
]