data_[Li4Er8Al4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  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 [3.7483]
_cell_length_b [16.5072]
_cell_length_c [11.1031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiEr2AlS5]
_chemical_formula_sum '[Li4 Er8 Al4 S20]'
_cell_volume [686.9853]
_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  0.2136  0.0185  1.0
  Er  Er1  4  0.0000  0.1220  0.6804  1.0
  Er  Er2  4  0.0000  0.1328  0.3036  1.0
  Al  Al3  4  0.0000  0.4309  0.4562  1.0
  S  S4  4  0.0000  0.0438  0.0648  1.0
  S  S5  4  0.0000  0.2931  0.6691  1.0
  S  S6  4  0.0000  0.3144  0.3495  1.0
  S  S7  4  0.0000  0.3589  0.0003  1.0
  S  S8  4  0.0000  0.4998  0.7817  1.0
]