data_[Tl3I2Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.5437]
_cell_length_b [21.7885]
_cell_length_c [6.8031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2668]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tl3I2Cl3]
_chemical_formula_sum '[Tl3 I2 Cl3]'
_cell_volume [666.5200]
_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
[
  Tl  Tl0  2  0.8434  0.3696  0.1679  1
  Tl  Tl1  1  0.2486  0.5000  0.7161  1
  I  I2  2  0.2212  0.3442  0.8379  1
  Cl  Cl3  2  0.4938  0.3692  0.4633  1
  Cl  Cl4  1  0.7973  0.5000  0.0383  1
]