data_[Li12Sb4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2025]
_cell_length_b [9.2496]
_cell_length_c [10.0661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Li3SbS4]
_chemical_formula_sum '[Li12 Sb4 S16]'
_cell_volume [670.6118]
_cell_formula_units_Z [4]
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  8  0.2361  0.5483  0.7452  1
  Li  Li1  4  0.0121  0.7500  0.0958  1
  Sb  Sb2  4  0.0746  0.7500  0.4935  1
  S  S3  8  0.2153  0.0529  0.9802  1
  S  S4  4  0.0183  0.2500  0.2798  1
  S  S5  4  0.1477  0.2500  0.6807  1
]