data_[Pa1S2I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.7395]
_cell_length_b [9.0038]
_cell_length_c [9.2594]
_cell_angle_alpha [88.8793]
_cell_angle_beta [89.9429]
_cell_angle_gamma [78.1480]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pa(SI2)2]
_chemical_formula_sum '[Pa1 S2 I4]'
_cell_volume [305.0568]
_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
[
  Pa  Pa0  1  0.0000  0.0000  0.0000  1
  S  S1  2  0.2506  0.5589  0.4832  1
  I  I2  2  0.3626  0.2787  0.9131  1
  I  I3  2  0.4573  0.0858  0.2636  1
]