data_[Li4As2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4665]
_cell_length_b [6.7477]
_cell_length_c [7.2975]
_cell_angle_alpha [103.7532]
_cell_angle_beta [96.7011]
_cell_angle_gamma [110.9827]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2AsS3]
_chemical_formula_sum '[Li4 As2 S6]'
_cell_volume [237.9993]
_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  2  0.1357  0.7522  0.5408  1.0
  Li  Li1  2  0.1388  0.7788  0.1082  1.0
  As  As2  2  0.4920  0.5088  0.2351  1.0
  S  S3  2  0.0577  0.4504  0.2400  1.0
  S  S4  2  0.3764  0.0727  0.4448  1.0
  S  S5  2  0.3781  0.2270  0.9272  1.0
]