data_[Pm8Pa4Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.5500]
_cell_length_b [8.3774]
_cell_length_c [7.8501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pm2PaSe5]
_chemical_formula_sum '[Pm8 Pa4 Se20]'
_cell_volume [825.3332]
_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  0.1791  0.0021  0.4774  1
  Pa  Pa1  4  0.0069  0.7500  0.9254  1
  Se  Se2  8  0.0985  0.0437  0.8360  1
  Se  Se3  4  0.0002  0.7500  0.5442  1
  Se  Se4  4  0.1829  0.7500  0.1724  1
  Se  Se5  4  0.2145  0.2500  0.1971  1
]