data_[Li2Sn2P2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9007]
_cell_length_b [6.4479]
_cell_length_c [7.9840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiSnPS4]
_chemical_formula_sum '[Li2 Sn2 P2 S8]'
_cell_volume [330.3487]
_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  0.2961  0.7500  0.5262  1.0
  Sn  Sn1  2  0.2303  0.7500  0.0715  1.0
  P  P2  2  0.2431  0.2500  0.3091  1.0
  S  S3  4  0.0365  0.5010  0.2446  1.0
  S  S4  2  0.3977  0.2500  0.5787  1.0
  S  S5  2  0.4232  0.2500  0.1582  1.0
]