data_[Li4S4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6805]
_cell_length_b [3.8718]
_cell_length_c [12.4490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiSCl]
_chemical_formula_sum '[Li4 S4 Cl4]'
_cell_volume [321.6608]
_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  0.1597  0.0000  0.9162  1.0
  S  S1  4  0.0066  0.5000  0.5763  1.0
  Cl  Cl2  4  0.1771  0.0000  0.1176  1.0
]