data_[Tb2In2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.7357]
_cell_length_b [10.8825]
_cell_length_c [8.7361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbInBr3]
_chemical_formula_sum '[Tb2 In2 Br6]'
_cell_volume [355.1451]
_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  0.5000  0.0000  0.0000  1
  In  In1  2  0.0169  0.7500  0.5251  1
  Br  Br2  4  0.0032  0.5477  0.2409  1
  Br  Br3  2  0.4975  0.7500  0.9055  1
]