data_[Li2La2Pr2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  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 [8.4609]
_cell_length_b [3.9656]
_cell_length_c [8.6378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiLaPrS3]
_chemical_formula_sum '[Li2 La2 Pr2 S6]'
_cell_volume [284.0495]
_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  0.0864  0.7500  0.5845  1
  La  La1  2  0.1762  0.7500  0.2173  1
  Pr  Pr2  2  0.3418  0.2500  0.8301  1
  S  S3  2  0.0967  0.7500  0.8640  1
  S  S4  2  0.2007  0.2500  0.4927  1
  S  S5  2  0.4149  0.2500  0.1728  1
]