data_[Na4Pr8Al4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9291]
_cell_length_b [17.1224]
_cell_length_c [12.0300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaPr2AlS5]
_chemical_formula_sum '[Na4 Pr8 Al4 S20]'
_cell_volume [809.3208]
_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  4  0.0000  0.1929  0.0306  1.0
  Pr  Pr1  4  0.0000  0.1210  0.6858  1.0
  Pr  Pr2  4  0.0000  0.1357  0.3324  1.0
  Al  Al3  4  0.0000  0.4514  0.4265  1.0
  S  S4  4  0.0000  0.0208  0.0197  1.0
  S  S5  4  0.0000  0.2926  0.6971  1.0
  S  S6  4  0.0000  0.3288  0.3579  1.0
  S  S7  4  0.0000  0.3510  0.0133  1.0
  S  S8  4  0.0000  0.4885  0.7607  1.0
]