data_[Li4Ho4Ge8S24]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.5079]
_cell_length_b [11.5754]
_cell_length_c [6.5344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiHo(GeS3)2]
_chemical_formula_sum '[Li4 Ho4 Ge8 S24]'
_cell_volume [916.1786]
_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  0.2729  0.2500  1
  Ho  Ho1  4  0.0000  0.1150  0.7500  1
  Ge  Ge2  8  0.2006  0.4179  0.7702  1
  S  S3  8  0.1133  0.0839  0.1595  1
  S  S4  8  0.1325  0.2575  0.6086  1
  S  S5  8  0.1355  0.4273  0.0644  1
]