data_[K2Li2Sn2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P2_1/m]
_cell_length_a [8.7483]
_cell_length_b [3.9171]
_cell_length_c [8.9829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KLiSnS3]
_chemical_formula_sum '[K2 Li2 Sn2 S6]'
_cell_volume [288.9147]
_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
[
  K  K0  2  0.2236  0.2500  0.2641  1.0
  Li  Li1  2  0.0801  0.2500  0.5944  1.0
  Sn  Sn2  2  0.3199  0.7500  0.8483  1.0
  S  S3  2  0.1315  0.2500  0.8741  1.0
  S  S4  2  0.2138  0.7500  0.5508  1.0
  S  S5  2  0.4665  0.7500  0.1505  1.0
]