data_[Pm6H6S6O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1312]
_cell_length_b [4.1312]
_cell_length_c [26.9437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PmHSO]
_chemical_formula_sum '[Pm6 H6 S6 O6]'
_cell_volume [398.2268]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.4021  1
  H  H1  6  0.0000  0.0000  0.2113  1
  S  S2  3  -0.0000  -0.0000  0.5000  1
  S  S3  3  0.0000  0.0000  0.0000  1
  O  O4  6  0.0000  0.0000  0.2482  1
]