data_[Tl4Pd2Au2I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6327]
_cell_length_b [8.0449]
_cell_length_c [13.8752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9268]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2PdAuI6]
_chemical_formula_sum '[Tl4 Pd2 Au2 I12]'
_cell_volume [730.8656]
_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  0.2843  0.0857  0.2560  1.0
  Pd  Pd1  2  0.0000  0.0000  0.5000  1.0
  Au  Au2  2  0.5000  0.0000  0.0000  1.0
  I  I3  4  0.1608  0.5068  0.2248  1.0
  I  I4  4  0.2341  0.6925  0.5280  1.0
  I  I5  4  0.3240  0.1984  0.5303  1.0
]