data_[Tl4Cu4Ni2Cl12]
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
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7769]
_cell_length_b [6.7134]
_cell_length_c [5.7799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Cu2NiCl6]
_chemical_formula_sum '[Tl4 Cu4 Ni2 Cl12]'
_cell_volume [530.4478]
_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  0.1933  0.5000  0.2321  1.0
  Cu  Cu1  4  0.0258  0.0000  0.2421  1.0
  Ni  Ni2  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl3  8  0.0689  0.2712  0.7389  1.0
  Cl  Cl4  4  0.1863  0.0000  0.2455  1.0
]