data_[Na8Pm4I18]
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 [P-3c1]
_cell_length_a [8.1051]
_cell_length_b [8.1051]
_cell_length_c [21.9026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [165]
_chemical_formula_structural [Na4Pm2I9]
_chemical_formula_sum '[Na8 Pm4 I18]'
_cell_volume [1246.0741]
_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
[
  Na  Na0  4  0.3333  0.6667  0.3292  1
  Na  Na1  4  0.3333  0.6667  0.5152  1
  Pm  Pm2  4  0.0000  0.0000  0.1638  1
  I  I3  12  0.0191  0.3327  0.9138  1
  I  I4  6  0.0000  0.3191  0.2500  1
]