data_[Tb2In6I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1238]
_cell_length_b [9.2134]
_cell_length_c [13.8940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tb(InI2)3]
_chemical_formula_sum '[Tb2 In6 I12]'
_cell_volume [891.8577]
_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  2  0.0000  0.0000  0.0000  1.0
  In  In1  4  0.3145  0.5994  0.2814  1.0
  In  In2  2  0.5000  0.0000  0.5000  1.0
  I  I3  4  0.0879  0.5616  0.7384  1.0
  I  I4  4  0.2370  0.2193  0.5812  1.0
  I  I5  4  0.3605  0.6668  0.5475  1.0
]