data_[Tl12I8Cl4]
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/c]
_cell_length_a [15.4086]
_cell_length_b [7.0130]
_cell_length_c [9.7097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl3I2Cl]
_chemical_formula_sum '[Tl12 I8 Cl4]'
_cell_volume [995.6176]
_cell_formula_units_Z [4]
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  8  0.1499  0.0002  0.5750  1
  Tl  Tl1  4  0.0000  0.4761  0.2500  1
  I  I2  8  0.1737  0.4991  0.0867  1
  Cl  Cl3  4  0.0000  0.0322  0.2500  1
]