data_[Tb2I3Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1947]
_cell_length_b [11.0734]
_cell_length_c [18.7902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tb2(ICl)3]
_chemical_formula_sum '[Tb2 I3 Cl3]'
_cell_volume [872.7959]
_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  2  0.0000  0.2677  0.4924  1
  I  I1  2  0.5000  0.3093  0.6081  1
  I  I2  1  0.0000  0.0000  0.5322  1
  Cl  Cl3  2  0.5000  0.2330  0.4064  1
  Cl  Cl4  1  0.0000  0.5000  0.4538  1
]