data_[Li6Ti9Pb3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.2823]
_cell_length_b [7.2823]
_cell_length_c [19.3379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li2Ti3PbS8]
_chemical_formula_sum '[Li6 Ti9 Pb3 S24]'
_cell_volume [888.1230]
_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
[
  Li  Li0  3  0.0000  0.0000  0.5095  1.0
  Li  Li1  3  0.0000  0.0000  0.8736  1.0
  Ti  Ti2  9  0.1732  0.3463  0.3297  1.0
  Pb  Pb3  3  0.0000  0.0000  0.1207  1.0
  S  S4  9  0.0132  0.5066  0.2637  1.0
  S  S5  9  0.1932  0.3865  0.0725  1.0
  S  S6  3  0.0000  0.0000  0.2665  1.0
  S  S7  3  0.0000  0.0000  0.7391  1.0
]