data_[Pm16Se8S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6131]
_cell_length_b [11.6262]
_cell_length_c [8.1652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.6483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm8Se4S3]
_chemical_formula_sum '[Pm16 Se8 S6]'
_cell_volume [784.3033]
_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  0.0000  0.2508  0.0000  1
  Pm  Pm1  4  0.0000  0.2602  0.5000  1
  Pm  Pm2  4  0.2406  0.5000  0.9829  1
  Pm  Pm3  4  0.2410  0.5000  0.4972  1
  Se  Se4  4  0.2500  0.2500  0.0000  1
  Se  Se5  2  0.0000  0.0000  0.0000  1
  Se  Se6  2  0.0000  0.0000  0.5000  1
  S  S7  4  0.2500  0.2500  0.5000  1
  S  S8  2  0.0000  0.5000  0.5000  1
]