data_[Li4In4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9040]
_cell_length_b [7.4034]
_cell_length_c [7.0592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4065]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li2In2S3]
_chemical_formula_sum '[Li4 In4 S6]'
_cell_volume [311.1884]
_cell_formula_units_Z [2]
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  0.3706  0.6248  0.5703  1
  In  In1  4  0.0880  0.1688  0.3844  1
  S  S2  4  0.3175  0.5711  0.1850  1
  S  S3  2  0.0000  0.0000  0.0000  1
]