data_[Tl8I2Cl14]
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 [C2/m]
_cell_length_a [15.4368]
_cell_length_b [5.6678]
_cell_length_c [12.1611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl4ICl7]
_chemical_formula_sum '[Tl8 I2 Cl14]'
_cell_volume [942.9011]
_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
[
  Tl  Tl0  4  0.1012  0.5000  0.8050  1
  Tl  Tl1  4  0.1258  0.0000  0.4607  1
  I  I2  2  0.0000  0.0000  0.0000  1
  Cl  Cl3  4  0.0932  0.0000  0.6735  1
  Cl  Cl4  4  0.1318  0.5000  0.4285  1
  Cl  Cl5  4  0.1677  0.0000  0.0109  1
  Cl  Cl6  2  0.0000  0.5000  0.0000  1
]