data_[Tb12Ge4Se6Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0418]
_cell_length_b [4.1338]
_cell_length_c [8.3478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Ge2Se3Br]
_chemical_formula_sum '[Tb12 Ge4 Se6 Br2]'
_cell_volume [608.0159]
_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  4  0.0078  0.0000  0.2768  1
  Tb  Tb1  4  0.1695  0.5000  0.5772  1
  Tb  Tb2  4  0.1761  0.5000  0.1040  1
  Ge  Ge3  4  0.1668  0.0000  0.3324  1
  Se  Se4  4  0.1600  0.0000  0.8373  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
  Br  Br6  2  0.0000  0.5000  0.0000  1
]