data_[Pa16Tc2Ir10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Tc  1.9000  1.3500  0.7417
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.5249]
_cell_length_b [8.5249]
_cell_length_c [8.6630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Pa8TcIr5]
_chemical_formula_sum '[Pa16 Tc2 Ir10]'
_cell_volume [629.5651]
_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  8  0.0559  0.6874  0.5641  1
  Pa  Pa1  8  0.0653  0.8038  0.1864  1
  Tc  Tc2  2  0.0000  0.5000  0.2500  1
  Ir  Ir3  8  0.1194  0.7549  0.8724  1
  Ir  Ir4  2  0.0000  0.0000  0.5000  1
]