data_[Na2Li2Ti2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0244]
_cell_length_b [3.5558]
_cell_length_c [9.0466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaLiTiS3]
_chemical_formula_sum '[Na2 Li2 Ti2 S6]'
_cell_volume [225.9530]
_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
[
  Na  Na0  2  0.4281  0.7500  0.6684  1.0
  Li  Li1  2  0.1972  0.2500  0.0166  1.0
  Ti  Ti2  2  0.0982  0.7500  0.3147  1.0
  S  S3  2  0.0803  0.7500  0.8142  1.0
  S  S4  2  0.2033  0.2500  0.4867  1.0
  S  S5  2  0.3535  0.7500  0.1663  1.0
]