data_[Tb3As2I3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6959]
_cell_length_b [7.3837]
_cell_length_c [20.5359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [108.7289]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tb3As2I3]
_chemical_formula_sum '[Tb3 As2 I3]'
_cell_volume [817.9403]
_cell_formula_units_Z [1]
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  1  0.2882  0.6498  0.5559  1
  Tb  Tb1  1  0.5877  0.3180  0.4828  1
  Tb  Tb2  1  0.9288  0.9500  0.4452  1
  As  As3  1  0.0930  0.3426  0.4761  1
  As  As4  1  0.4203  0.9295  0.4583  1
  I  I5  1  0.4761  0.3418  0.6312  1
  I  I6  1  0.7270  0.5905  0.3616  1
  I  I7  1  0.8819  0.8331  0.5888  1
]