data_[K4Tl2Ni2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.2013]
_cell_length_b [10.3696]
_cell_length_c [7.5055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [K2TlNiCl6]
_chemical_formula_sum '[K4 Tl2 Ni2 Cl12]'
_cell_volume [560.4760]
_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
[
  K  K0  4  0.0000  0.2688  0.2183  1.0
  Tl  Tl1  2  0.0000  0.5000  0.7259  1.0
  Ni  Ni2  2  0.0000  0.0000  0.7685  1.0
  Cl  Cl3  4  0.0000  0.2260  0.7696  1.0
  Cl  Cl4  4  0.2294  0.0000  0.9922  1.0
  Cl  Cl5  4  0.2329  0.0000  0.5494  1.0
]