data_[Li6Y4Ti2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5733]
_cell_length_b [11.3833]
_cell_length_c [6.5269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Y2TiS6]
_chemical_formula_sum '[Li6 Y4 Ti2 S12]'
_cell_volume [460.5368]
_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  4  0.0000  0.1605  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Y  Y2  4  0.0000  0.3319  0.0000  1.0
  Ti  Ti3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2395  0.1558  0.2480  1.0
  S  S5  4  0.2304  0.0000  0.7583  1.0
]