data_[Na4Sr4Pr4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.9305]
_cell_length_b [4.2338]
_cell_length_c [13.4017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaSrPrS3]
_chemical_formula_sum '[Na4 Sr4 Pr4 S12]'
_cell_volume [620.2024]
_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  0.2286  0.7500  0.2640  1
  Sr  Sr1  4  0.2028  0.2500  0.5004  1
  Pr  Pr2  4  0.0192  0.7500  0.7698  1
  S  S3  4  0.0369  0.7500  0.3787  1
  S  S4  4  0.0966  0.2500  0.8934  1
  S  S5  4  0.2389  0.2500  0.1551  1
]