data_[Na2Tl1Pd1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P1]
_cell_length_a [6.9490]
_cell_length_b [6.9598]
_cell_length_c [7.4934]
_cell_angle_alpha [89.8824]
_cell_angle_beta [62.5898]
_cell_angle_gamma [62.6891]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2TlPdCl6]
_chemical_formula_sum '[Na2 Tl1 Pd1 Cl6]'
_cell_volume [275.6277]
_cell_formula_units_Z [1]
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
[
  Na  Na0  1  0.9505  0.5320  0.5739  1.0
  Na  Na1  1  0.9742  0.0023  0.0213  1.0
  Tl  Tl2  1  0.3723  0.8164  0.4419  1.0
  Pd  Pd3  1  0.3427  0.3276  0.9845  1.0
  Cl  Cl4  1  0.1750  0.1370  0.2127  1.0
  Cl  Cl5  1  0.2021  0.2483  0.7730  1.0
  Cl  Cl6  1  0.4733  0.5514  0.7748  1.0
  Cl  Cl7  1  0.4771  0.3889  0.2074  1.0
  Cl  Cl8  1  0.8018  0.9623  0.7605  1.0
  Cl  Cl9  1  0.9076  0.6954  0.2348  1.0
]