data_[Tl1H6Ir1Pd1]
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
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8979]
_cell_length_b [5.0456]
_cell_length_c [5.3718]
_cell_angle_alpha [66.6920]
_cell_angle_beta [63.7711]
_cell_angle_gamma [64.4474]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlH6IrPd]
_chemical_formula_sum '[Tl1 H6 Ir1 Pd1]'
_cell_volume [103.9328]
_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
[
  Tl  Tl0  1  0.1230  0.8513  0.9793  1.0
  Pd  Pd1  1  0.2933  0.3397  0.5318  1.0
  H  H2  1  0.3671  0.0033  0.3724  1.0
  H  H3  1  0.4730  0.4535  0.7175  1.0
  H  H4  1  0.5706  0.6038  0.2768  1.0
  Ir  Ir5  1  0.6576  0.7129  0.4831  1.0
  H  H6  1  0.6760  0.0357  0.5069  1.0
  H  H7  1  0.9015  0.6246  0.6781  1.0
  H  H8  1  0.9382  0.3751  0.4543  1.0
]