data_[Tl4Cu8Cl12]
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 [C2/m]
_cell_length_a [22.5813]
_cell_length_b [3.9330]
_cell_length_c [6.9997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlCu2Cl3]
_chemical_formula_sum '[Tl4 Cu8 Cl12]'
_cell_volume [612.7507]
_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  4  0.1356  0.5000  0.4362  1.0
  Cu  Cu1  4  0.0530  0.0000  0.9566  1.0
  Cu  Cu2  4  0.1947  0.5000  0.0646  1.0
  Cl  Cl3  4  0.0391  0.0000  0.2751  1.0
  Cl  Cl4  4  0.1024  0.5000  0.8764  1.0
  Cl  Cl5  4  0.2327  0.0000  0.2065  1.0
]