data_[Tb8Ge2I10]
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 [19.1582]
_cell_length_b [4.2185]
_cell_length_c [8.8229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb4GeI5]
_chemical_formula_sum '[Tb8 Ge2 I10]'
_cell_volume [696.0764]
_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  0.0001  0.0000  0.7878  1.0
  Tb  Tb1  4  0.1466  0.5000  0.0731  1.0
  Ge  Ge2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1664  0.0000  0.3353  1.0
  I  I4  4  0.1718  0.0000  0.8274  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]