data_[Na2Pm4Sb2S12]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6695]
_cell_length_b [7.2849]
_cell_length_c [11.3417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaPm2SbS6]
_chemical_formula_sum '[Na2 Pm4 Sb2 S12]'
_cell_volume [467.7076]
_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  2  0.5000  0.0000  0.0000  1
  Pm  Pm1  4  0.3038  0.0929  0.2601  1
  Sb  Sb2  2  0.0000  0.0000  0.5000  1
  S  S3  4  0.0845  0.0666  0.7382  1
  S  S4  4  0.2508  0.7057  0.5832  1
  S  S5  4  0.3618  0.1745  0.5543  1
]