data_[Li2Pr4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/m]
_cell_length_a [6.9133]
_cell_length_b [5.6140]
_cell_length_c [8.2580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li(PrS2)2]
_chemical_formula_sum '[Li2 Pr4 S8]'
_cell_volume [305.5770]
_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
[
  Li  Li0  2  0.2371  0.2500  0.1840  1.0
  Pr  Pr1  2  0.2258  0.7500  0.4349  1.0
  Pr  Pr2  2  0.2459  0.7500  0.9335  1.0
  S  S3  4  0.4885  0.0095  0.7442  1.0
  S  S4  2  0.0642  0.2500  0.8959  1.0
  S  S5  2  0.0668  0.2500  0.3874  1.0
]