data_[Li8Pr4In4S16]
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
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.6497]
_cell_length_b [8.0295]
_cell_length_c [10.9283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Li2PrInS4]
_chemical_formula_sum '[Li8 Pr4 In4 S16]'
_cell_volume [671.2503]
_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
[
  Li  Li0  4  0.0000  0.0000  0.5000  1.0
  Li  Li1  4  0.2500  0.2500  0.2500  1.0
  Pr  Pr2  4  0.0000  0.0000  0.0000  1.0
  In  In3  4  0.2500  0.2500  0.7500  1.0
  S  S4  8  0.0000  0.0191  0.7394  1.0
  S  S5  8  0.2398  0.2500  0.4963  1.0
]