data_[Tb4Bi4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0110]
_cell_length_b [6.4720]
_cell_length_c [7.4648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0378]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TbBiBr]
_chemical_formula_sum '[Tb4 Bi4 Br4]'
_cell_volume [373.7739]
_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  0.2657  0.5882  0.4241  1
  Bi  Bi1  4  0.4445  0.1441  0.3213  1
  Br  Br2  4  0.0091  0.7461  0.6075  1
]