data_[Sr3Li6Ti9S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [R3m]
_cell_length_a [7.1373]
_cell_length_b [7.1373]
_cell_length_c [21.9680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrLi2Ti3S8]
_chemical_formula_sum '[Sr3 Li6 Ti9 S24]'
_cell_volume [969.1398]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  3  0.0000  0.0000  0.8596  1.0
  Li  Li1  3  0.0000  0.0000  0.0115  1.0
  Li  Li2  3  0.0000  0.0000  0.5500  1.0
  Ti  Ti3  9  0.0176  0.5088  0.0087  1.0
  S  S4  9  0.0136  0.5068  0.2770  1.0
  S  S5  9  0.1755  0.3510  0.0696  1.0
  S  S6  3  0.0000  0.0000  0.2752  1.0
  S  S7  3  0.0000  0.0000  0.7304  1.0
]