data_[Li4Y8Al4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7782]
_cell_length_b [16.6331]
_cell_length_c [11.1679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiY2AlS5]
_chemical_formula_sum '[Li4 Y8 Al4 S20]'
_cell_volume [701.8199]
_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  0.0000  0.2138  0.0189  1.0
  Y  Y1  4  0.0000  0.1220  0.6809  1.0
  Y  Y2  4  0.0000  0.1326  0.3040  1.0
  Al  Al3  4  0.0000  0.4309  0.4557  1.0
  S  S4  4  0.0000  0.0441  0.0629  1.0
  S  S5  4  0.0000  0.2932  0.6685  1.0
  S  S6  4  0.0000  0.3147  0.3511  1.0
  S  S7  4  0.0000  0.3585  0.0002  1.0
  S  S8  4  0.0000  0.4998  0.2818  1.0
]