data_[Rb6Hf9Pb3S24]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.5915]
_cell_length_b [7.5915]
_cell_length_c [24.4879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Rb2Hf3PbS8]
_chemical_formula_sum '[Rb6 Hf9 Pb3 S24]'
_cell_volume [1222.1733]
_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  3  0.0000  0.0000  0.1416  1.0
  Rb  Rb1  3  0.0000  0.0000  0.4926  1.0
  Hf  Hf2  9  0.0070  0.5035  0.0004  1.0
  Pb  Pb3  3  0.0000  0.0000  0.8915  1.0
  S  S4  9  0.0326  0.5163  0.2708  1.0
  S  S5  9  0.1740  0.3480  0.0527  1.0
  S  S6  3  0.0000  0.0000  0.2733  1.0
  S  S7  3  0.0000  0.0000  0.7219  1.0
]