data_[Pm16S12O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.1390]
_cell_length_b [9.6530]
_cell_length_c [6.5622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pm4S3O2]
_chemical_formula_sum '[Pm16 S12 O8]'
_cell_volume [768.9023]
_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
[
  Pm  Pm0  8  0.1091  0.1778  0.5031  1
  Pm  Pm1  8  0.1552  0.4209  0.0767  1
  S  S2  8  0.1241  0.1234  0.0624  1
  S  S3  4  0.0000  0.3837  0.7500  1
  O  O4  8  0.2062  0.3739  0.4067  1
]