data_[Li4Ho8Al4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  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 [3.7603]
_cell_length_b [16.5444]
_cell_length_c [11.1230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiHo2AlS5]
_chemical_formula_sum '[Li4 Ho8 Al4 S20]'
_cell_volume [691.9846]
_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  0.0186  1
  Ho  Ho1  4  0.0000  0.1219  0.6806  1
  Ho  Ho2  4  0.0000  0.1326  0.3037  1
  Al  Al3  4  0.0000  0.4307  0.4561  1
  S  S4  4  0.0000  0.0439  0.0641  1
  S  S5  4  0.0000  0.2932  0.6688  1
  S  S6  4  0.0000  0.3143  0.3501  1
  S  S7  4  0.0000  0.3589  0.0002  1
  S  S8  4  0.0000  0.4998  0.2817  1
]