data_[Li4Tb8Ho4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8962]
_cell_length_b [16.2020]
_cell_length_c [11.7749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTb2HoS5]
_chemical_formula_sum '[Li4 Tb8 Ho4 S20]'
_cell_volume [743.3031]
_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  0.4866  0.4815  1.0
  Tb  Tb1  4  0.0000  0.1075  0.6843  1.0
  Tb  Tb2  4  0.0000  0.1240  0.2942  1.0
  Ho  Ho3  4  0.0000  0.1969  0.0014  1.0
  S  S4  4  0.0000  0.0461  0.0741  1.0
  S  S5  4  0.0000  0.2865  0.6628  1.0
  S  S6  4  0.0000  0.3078  0.3413  1.0
  S  S7  4  0.0000  0.3632  0.0004  1.0
  S  S8  4  0.0000  0.4999  0.2841  1.0
]