data_[Li2Sn2S2]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.6972]
_cell_length_b [4.6972]
_cell_length_c [7.5210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [LiSnS]
_chemical_formula_sum '[Li2 Sn2 S2]'
_cell_volume [143.7074]
_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  1  0.6667  0.3333  0.0000  1
  Li  Li1  1  0.6667  0.3333  0.5000  1
  Sn  Sn2  2  0.3333  0.6667  0.2085  1
  S  S3  2  0.0000  0.0000  0.2567  1
]