data_[Tl16Hg4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8403]
_cell_length_b [5.2125]
_cell_length_c [7.2226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6794]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl8Hg2Pd]
_chemical_formula_sum '[Tl16 Hg4 Pd2]'
_cell_volume [643.3900]
_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  0.0170  0.0000  0.7919  1.0
  Tl  Tl1  4  0.0886  0.5000  0.4218  1.0
  Tl  Tl2  4  0.1539  0.5000  0.9542  1.0
  Tl  Tl3  4  0.1983  0.0000  0.2698  1.0
  Hg  Hg4  4  0.1764  0.0000  0.6904  1.0
  Pd  Pd5  2  0.0000  0.5000  0.0000  1.0
]