data_[Pa8Ga4I44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.2491]
_cell_length_b [17.3241]
_cell_length_c [15.9471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pa2GaI11]
_chemical_formula_sum '[Pa8 Ga4 I44]'
_cell_volume [3384.0465]
_cell_formula_units_Z [4]
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  0.2282  0.9229  0.5000  1
  Ga  Ga1  4  0.0000  0.5000  0.2500  1
  I  I2  16  0.1498  0.1780  0.1320  1
  I  I3  16  0.2055  0.4602  0.1277  1
  I  I4  8  0.0596  0.3510  0.5000  1
  I  I5  4  0.0000  0.0000  0.0000  1
]