data_[Tl2Cu4Cl6]
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 [P2_1/m]
_cell_length_a [7.5437]
_cell_length_b [5.2303]
_cell_length_c [8.0035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlCu2Cl3]
_chemical_formula_sum '[Tl2 Cu4 Cl6]'
_cell_volume [296.5780]
_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  0.3277  0.2500  0.1388  1
  Cu  Cu1  4  0.1210  0.0022  0.6649  1
  Cl  Cl2  2  0.1061  0.7500  0.8980  1
  Cl  Cl3  2  0.1684  0.7500  0.4266  1
  Cl  Cl4  2  0.3979  0.2500  0.7615  1
]