data_[Tl2Cu2Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9701]
_cell_length_b [6.2228]
_cell_length_c [10.1780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [TlCuCl2]
_chemical_formula_sum '[Tl2 Cu2 Cl4]'
_cell_volume [251.4480]
_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  0.0000  0.5000  0.3275  1.0
  Cu  Cu1  2  0.0000  0.0000  0.2634  1.0
  Cl  Cl2  2  0.0000  0.0000  0.0417  1.0
  Cl  Cl3  2  0.0000  0.5000  0.8674  1.0
]