data_[Pa16Ir2Os10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.5672]
_cell_length_b [8.5672]
_cell_length_c [8.5305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Pa8IrOs5]
_chemical_formula_sum '[Pa16 Ir2 Os10]'
_cell_volume [626.1133]
_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  0.0580  0.8118  0.1832  1
  Pa  Pa1  8  0.0602  0.6923  0.5672  1
  Os  Os2  8  0.1271  0.7490  0.8766  1
  Os  Os3  2  0.0000  0.0000  0.5000  1
  Ir  Ir4  2  0.0000  0.5000  0.2500  1
]