data_[Li2Pr2Sn2S6]
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
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5867]
_cell_length_b [3.9119]
_cell_length_c [8.8541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiPrSnS3]
_chemical_formula_sum '[Li2 Pr2 Sn2 S6]'
_cell_volume [295.7804]
_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  0.1048  0.2500  0.5841  1.0
  Pr  Pr1  2  0.1524  0.2500  0.2077  1.0
  Sn  Sn2  2  0.3529  0.7500  0.8333  1.0
  S  S3  2  0.1092  0.2500  0.8679  1.0
  S  S4  2  0.1815  0.7500  0.4468  1.0
  S  S5  2  0.3867  0.7500  0.1287  1.0
]