data_[Pm12C4S6O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0420]
_cell_length_b [3.8215]
_cell_length_c [7.8432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm6C2S3O]
_chemical_formula_sum '[Pm12 C4 S6 O2]'
_cell_volume [491.7293]
_cell_formula_units_Z [2]
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  4  0.0100  0.0000  0.2370  1
  Pm  Pm1  4  0.1609  0.5000  0.1046  1
  Pm  Pm2  4  0.1740  0.5000  0.5643  1
  C  C3  4  0.1627  0.0000  0.3260  1
  S  S4  4  0.1662  0.0000  0.8333  1
  S  S5  2  0.0000  0.5000  0.5000  1
  O  O6  2  0.0000  0.5000  0.0000  1
]