data_[Tl6Ir2Cl14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2726]
_cell_length_b [9.7346]
_cell_length_c [7.7823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl3IrCl7]
_chemical_formula_sum '[Tl6 Ir2 Cl14]'
_cell_volume [699.9762]
_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  0.0034  0.2299  0.4803  1
  Tl  Tl1  2  0.4951  0.0000  0.9812  1
  Ir  Ir2  2  0.4897  0.5000  0.9612  1
  Cl  Cl3  4  0.1321  0.1744  0.1658  1
  Cl  Cl4  4  0.3483  0.3276  0.7503  1
  Cl  Cl5  2  0.1394  0.0000  0.8036  1
  Cl  Cl6  2  0.3426  0.5000  0.1215  1
  Cl  Cl7  2  0.4409  0.0000  0.5897  1
]