data_[Tb8Ge4Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2344]
_cell_length_b [4.1766]
_cell_length_c [17.5873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb4Ge2Br3]
_chemical_formula_sum '[Tb8 Ge4 Br6]'
_cell_volume [531.3718]
_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  0.0083  0.0000  0.2920  1.0
  Tb  Tb1  4  0.1629  0.5000  0.8834  1.0
  Ge  Ge2  4  0.1726  0.5000  0.1999  1.0
  Br  Br3  4  0.1560  0.5000  0.6079  1.0
  Br  Br4  2  0.0000  0.0000  0.0000  1.0
]