data_[Na4Li4Pr8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.1434]
_cell_length_b [8.2095]
_cell_length_c [11.5729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NaLi(PrS2)2]
_chemical_formula_sum '[Na4 Li4 Pr8 S16]'
_cell_volume [773.6866]
_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  0.2500  0.2500  0.7500  1.0
  Li  Li1  4  0.0000  0.0000  0.5000  1.0
  Pr  Pr2  4  0.0000  0.0000  0.0000  1.0
  Pr  Pr3  4  0.2500  0.2500  0.2500  1.0
  S  S4  8  0.0000  0.0071  0.2483  1.0
  S  S5  8  0.2480  0.2500  0.0032  1.0
]