data_[Tl6Pd2Cl14]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.6568]
_cell_length_b [9.6568]
_cell_length_c [6.8375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Tl3PdCl7]
_chemical_formula_sum '[Tl6 Pd2 Cl14]'
_cell_volume [637.6135]
_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  0.1752  0.6752  0.5000  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  2  0.0000  0.5000  0.0000  1
  Cl  Cl3  8  0.1189  0.3811  0.2477  1
  Cl  Cl4  4  0.1717  0.6717  0.0000  1
  Cl  Cl5  2  0.0000  0.0000  0.5000  1
]