data_[Rb9Hf9Ni3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hf  1.3000  1.5500  0.8500
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4243]
_cell_length_b [7.4243]
_cell_length_c [23.3846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb3Hf3NiS8]
_chemical_formula_sum '[Rb9 Hf9 Ni3 S24]'
_cell_volume [1116.2679]
_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
[
  Rb  Rb0  9  0.0000  0.5000  0.0000  1
  Hf  Hf1  9  0.0000  0.5000  0.5000  1
  Ni  Ni2  3  0.0000  0.0000  0.5000  1
  S  S3  18  0.0013  0.5006  0.2258  1
  S  S4  6  0.0000  0.0000  0.2292  1
]