data_[Hf4Ge8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  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 [12.0853]
_cell_length_b [11.0733]
_cell_length_c [6.4474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf(GeS3)2]
_chemical_formula_sum '[Hf4 Ge8 S24]'
_cell_volume [846.0063]
_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
[
  Hf  Hf0  4  0.0000  0.1203  0.2500  1
  Ge  Ge1  8  0.1960  0.4241  0.3245  1
  S  S2  8  0.1108  0.0689  0.6183  1
  S  S3  8  0.1266  0.4171  0.6227  1
  S  S4  8  0.1379  0.2562  0.1456  1
]