data_[Ho9Tl9Ge3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  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 [7.8366]
_cell_length_b [7.8366]
_cell_length_c [22.8883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ho3Tl3GeS8]
_chemical_formula_sum '[Ho9 Tl9 Ge3 S24]'
_cell_volume [1217.3129]
_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
[
  Ho  Ho0  9  0.0000  0.5000  0.0000  1.0
  Tl  Tl1  9  0.0000  0.5000  0.5000  1.0
  Ge  Ge2  3  0.0000  0.0000  0.0000  1.0
  S  S3  18  0.0286  0.5143  0.7282  1.0
  S  S4  6  0.0000  0.0000  0.2677  1.0
]