data_[Li2As2S2]
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 [P2_1/m]
_cell_length_a [4.4121]
_cell_length_b [4.0116]
_cell_length_c [7.1567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiAsS]
_chemical_formula_sum '[Li2 As2 S2]'
_cell_volume [126.1845]
_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  0.2470  0.2500  0.4789  1.0
  As  As1  2  0.3139  0.7500  0.9827  1.0
  S  S2  2  0.2733  0.7500  0.6650  1.0
]