data_[Li3Sn9S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [R3]
_cell_length_a [6.5743]
_cell_length_b [6.5743]
_cell_length_c [18.0777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li(SnS2)3]
_chemical_formula_sum '[Li3 Sn9 S18]'
_cell_volume [676.6619]
_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  0.8596  1
  Sn  Sn1  3  0.0000  0.0000  0.1436  1
  Sn  Sn2  3  0.0000  0.0000  0.3416  1
  Sn  Sn3  3  0.0000  0.0000  0.6520  1
  S  S4  9  0.0080  0.3118  0.2509  1
  S  S5  9  0.0458  0.6904  0.4168  1
]