data_[Pa18S36Cl3]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [12.7050]
_cell_length_b [12.7050]
_cell_length_c [10.0123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pa6S12Cl]
_chemical_formula_sum '[Pa18 S36 Cl3]'
_cell_volume [1399.6232]
_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  18  0.0582  0.5291  0.2797  1
  S  S1  18  0.0000  0.3706  0.5000  1
  S  S2  18  0.0882  0.1763  0.3628  1
  Cl  Cl3  3  0.0000  0.0000  0.0000  1
]