data_[Tl4H4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.1268]
_cell_length_b [5.8868]
_cell_length_c [5.0397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlHPd3]
_chemical_formula_sum '[Tl4 H4 Pd12]'
_cell_volume [288.4059]
_cell_formula_units_Z [4]
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  2  0.1212  0.0000  0.6495  1.0
  Tl  Tl1  2  0.3452  0.5000  0.1105  1.0
  Pd  Pd2  4  0.1054  0.2450  0.1369  1.0
  Pd  Pd3  4  0.3620  0.2572  0.6228  1.0
  H  H4  2  0.0079  0.5000  0.9901  1.0
  Pd  Pd5  2  0.1149  0.5000  0.6293  1.0
  Pd  Pd6  2  0.3556  0.0000  0.1195  1.0
  H  H7  2  0.4279  0.0000  0.4950  1.0
]