data_[Pm4S4O4]
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/m]
_cell_length_a [10.2825]
_cell_length_b [3.7138]
_cell_length_c [8.4090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmSO]
_chemical_formula_sum '[Pm4 S4 O4]'
_cell_volume [308.5075]
_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  4  0.0933  0.5000  0.7936  1
  S  S1  4  0.0929  0.0000  0.0953  1
  O  O2  4  0.1344  0.0000  0.6890  1
]