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 [4.8677]
_cell_length_b [5.0150]
_cell_length_c [5.3053]
_cell_angle_alpha [66.7966]
_cell_angle_beta [63.7487]
_cell_angle_gamma [64.4425]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlH6IrPd]
_chemical_formula_sum '[Tl1 H6 Ir1 Pd1]'
_cell_volume [101.4308]
_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  0.1233  0.8500  0.9804  1
  Pd  Pd1  1  0.2918  0.3412  0.5323  1
  H  H2  1  0.3633  0.0070  0.3697  1
  H  H3  1  0.4725  0.4491  0.7200  1
  H  H4  1  0.5700  0.6033  0.2739  1
  Ir  Ir5  1  0.6569  0.7151  0.4835  1
  H  H6  1  0.6786  0.0384  0.5063  1
  H  H7  1  0.9033  0.6245  0.6807  1
  H  H8  1  0.9405  0.3713  0.4533  1
]