data_[Li12Ho9Ge3S24]
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 [R-3m]
_cell_length_a [7.6916]
_cell_length_b [7.6916]
_cell_length_c [18.4204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li4Ho3GeS8]
_chemical_formula_sum '[Li12 Ho9 Ge3 S24]'
_cell_volume [943.7618]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1.0
  Li  Li1  3  -0.0000  -0.0000  0.5000  1.0
  Ho  Ho2  9  0.0000  0.5000  0.0000  1.0
  Ge  Ge3  3  0.0000  0.0000  0.0000  1.0
  S  S4  18  0.0130  0.5065  0.7484  1.0
  S  S5  6  0.0000  0.0000  0.2494  1.0
]