data_[Hf9Ni3Ag9S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ni  1.9100  1.3500  0.7400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2315]
_cell_length_b [7.2315]
_cell_length_c [20.0823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Hf3NiAg3S8]
_chemical_formula_sum '[Hf9 Ni3 Ag9 S24]'
_cell_volume [909.5070]
_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
[
  Hf  Hf0  9  0.0000  0.5000  0.0000  1
  Ni  Ni1  3  -0.0000  -0.0000  0.0000  1
  Ag  Ag2  9  0.0000  0.5000  0.5000  1
  S  S3  18  0.0104  0.5052  0.7383  1
  S  S4  6  0.0000  0.0000  0.2601  1
]