data_[Pm15Pa9S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9283]
_cell_length_b [7.9283]
_cell_length_c [19.6359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm5Pa3S8]
_chemical_formula_sum '[Pm15 Pa9 S24]'
_cell_volume [1068.9197]
_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
[
  Pm  Pm0  9  0.0000  0.5000  0.0000  1
  Pm  Pm1  3  -0.0000  -0.0000  0.5000  1
  Pm  Pm2  3  0.0000  0.0000  0.0000  1
  Pa  Pa3  9  0.0000  0.5000  0.5000  1
  S  S4  18  0.0040  0.5020  0.7520  1
  S  S5  6  0.0000  0.0000  0.2476  1
]