data_[Li4As4S8]
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 [Cc]
_cell_length_a [7.4391]
_cell_length_b [7.7698]
_cell_length_c [6.5342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [LiAsS2]
_chemical_formula_sum '[Li4 As4 S8]'
_cell_volume [316.7921]
_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  0.3563  0.1241  0.9692  1.0
  As  As1  4  0.3769  0.4140  0.4866  1.0
  S  S2  4  0.1137  0.1065  0.5078  1.0
  S  S3  4  0.1529  0.4041  0.0363  1.0
]