data_[Pa9Bi3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1410]
_cell_length_b [8.1410]
_cell_length_c [19.9113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pa3BiS8]
_chemical_formula_sum '[Pa9 Bi3 S24]'
_cell_volume [1142.8332]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1
  Bi  Bi1  3  -0.0000  -0.0000  0.5000  1
  S  S2  18  0.0271  0.5135  0.2593  1
  S  S3  6  0.0000  0.0000  0.2644  1
]