data_[Tb6Ge4I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9761]
_cell_length_b [4.1238]
_cell_length_c [7.8476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3(GeI)2]
_chemical_formula_sum '[Tb6 Ge4 I4]'
_cell_volume [446.6736]
_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  0.2456  0.0000  0.7815  1
  Tb  Tb1  2  0.0000  0.0000  0.0000  1
  Ge  Ge2  4  0.1233  0.5000  0.8932  1
  I  I3  4  0.1241  0.0000  0.3873  1
]