data_[Tl8Ni4Ag4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0548]
_cell_length_b [19.9936]
_cell_length_c [12.8060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2NiAgCl5]
_chemical_formula_sum '[Tl8 Ni4 Ag4 Cl20]'
_cell_volume [1038.1932]
_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  0.0000  0.1206  0.3117  1.0
  Tl  Tl1  4  0.0000  0.1329  0.6810  1.0
  Ni  Ni2  4  0.0000  0.4426  0.4371  1.0
  Ag  Ag3  4  0.0000  0.2180  0.0331  1.0
  Cl  Cl4  4  0.0000  0.0319  0.0074  1.0
  Cl  Cl5  4  0.0000  0.2906  0.6737  1.0
  Cl  Cl6  4  0.0000  0.3325  0.4029  1.0
  Cl  Cl7  4  0.0000  0.3475  0.9973  1.0
  Cl  Cl8  4  0.0000  0.4905  0.2798  1.0
]