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 [Cc]
_cell_length_a [12.4254]
_cell_length_b [8.0073]
_cell_length_c [6.9195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Li3SbS4]
_chemical_formula_sum '[Li12 Sb4 S16]'
_cell_volume [688.4416]
_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  4  0.2150  0.1256  0.3721  1.0
  Li  Li1  4  0.2838  0.4006  0.6122  1.0
  Li  Li2  4  0.4526  0.1169  0.8176  1.0
  Sb  Sb3  4  0.0186  0.1551  0.7878  1.0
  S  S4  4  0.1007  0.3243  0.5429  1.0
  S  S5  4  0.1878  0.1579  0.0166  1.0
  S  S6  4  0.3115  0.3256  0.9507  1.0
  S  S7  4  0.4004  0.1602  0.4676  1.0
]