data_[Pa2H8Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.0552]
_cell_length_b [4.3607]
_cell_length_c [4.6022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [PaH4Ir]
_chemical_formula_sum '[Pa2 H8 Ir2]'
_cell_volume [121.5201]
_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
[
  Pa  Pa0  2  0.0000  0.2983  0.0032  1
  H  H1  4  0.1888  0.9719  0.6964  1
  H  H2  2  0.0000  0.3382  0.4927  1
  Ir  Ir3  2  0.0000  0.7176  0.5608  1
  H  H4  2  0.0000  0.7918  0.1786  1
]