data_[Pa4Si8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4450]
_cell_length_b [11.4670]
_cell_length_c [6.2508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pa(SiS3)2]
_chemical_formula_sum '[Pa4 Si8 S24]'
_cell_volume [878.1136]
_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  4  0.0000  0.1140  0.2500  1
  Si  Si1  8  0.1967  0.4254  0.2966  1
  S  S2  8  0.1249  0.0728  0.6468  1
  S  S3  8  0.1349  0.4275  0.5975  1
  S  S4  8  0.1392  0.2676  0.1431  1
]