data_[Na8Pm4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pm  1.1300  1.8500  1.1100
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.9395]
_cell_length_b [9.5603]
_cell_length_c [9.1465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Na2PmI5]
_chemical_formula_sum '[Na8 Pm4 I20]'
_cell_volume [1218.9154]
_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
[
  Na  Na0  8  0.1800  0.0175  0.4820  1
  Pm  Pm1  4  0.0055  0.7500  0.9145  1
  I  I2  8  0.0866  0.0468  0.8369  1
  I  I3  4  0.0067  0.7500  0.5593  1
  I  I4  4  0.1819  0.7500  0.1361  1
  I  I5  4  0.2127  0.2500  0.1786  1
]