data_[Pm8Pa4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.3992]
_cell_length_b [13.5932]
_cell_length_c [13.4384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pm2PaS5]
_chemical_formula_sum '[Pm8 Pa4 S20]'
_cell_volume [986.2792]
_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  0.0000  0.1446  0.5600  1
  Pa  Pa1  4  0.0000  0.1947  0.2500  1
  S  S2  8  0.0000  0.0479  0.1206  1
  S  S3  8  0.0000  0.3072  0.0792  1
  S  S4  4  0.0000  0.2555  0.7500  1
]