data_[Na1Pm1S1O6]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.2804]
_cell_length_b [5.2804]
_cell_length_c [4.6814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [NaPmSO6]
_chemical_formula_sum '[Na1 Pm1 S1 O6]'
_cell_volume [113.0419]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Pm  Pm1  1  0.6667  0.3333  0.0000  1
  S  S2  1  0.3333  0.6667  0.5000  1
  O  O3  6  0.0673  0.4206  0.7029  1
]