data_[Tl4Pd2Au2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0176]
_cell_length_b [7.0384]
_cell_length_c [12.8012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5814]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2PdAuCl6]
_chemical_formula_sum '[Tl4 Pd2 Au2 Cl12]'
_cell_volume [532.7822]
_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  0.2542  0.5223  0.7502  1.0
  Pd  Pd1  2  0.0000  0.0000  0.5000  1.0
  Au  Au2  2  0.5000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1976  0.0003  0.7192  1.0
  Cl  Cl4  4  0.2367  0.2197  0.0103  1.0
  Cl  Cl5  4  0.2913  0.7262  0.0116  1.0
]