data_[Tm8Ge4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  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 [20.4742]
_cell_length_b [4.1260]
_cell_length_c [14.6010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.5238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2GeI3]
_chemical_formula_sum '[Tm8 Ge4 I12]'
_cell_volume [951.4282]
_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
[
  Tm  Tm0  4  0.0991  0.5000  0.7271  1
  Tm  Tm1  4  0.1249  0.0000  0.4438  1
  Ge  Ge2  4  0.0626  0.5000  0.5018  1
  I  I3  4  0.0370  0.0000  0.8191  1
  I  I4  4  0.1827  0.5000  0.3447  1
  I  I5  4  0.2384  0.0000  0.8447  1
]