data_[Tl2Cu4I2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5642]
_cell_length_b [5.3172]
_cell_length_c [8.6738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlCu2ICl2]
_chemical_formula_sum '[Tl2 Cu4 I2 Cl4]'
_cell_volume [326.2899]
_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  2  0.3212  0.7500  0.6209  1.0
  Cu  Cu1  4  0.1093  0.0008  0.1540  1.0
  I  I2  2  0.2165  0.2500  0.9312  1.0
  Cl  Cl3  2  0.1127  0.2500  0.3846  1.0
  Cl  Cl4  2  0.3868  0.7500  0.2847  1.0
]