data_[Rb2Hf2Au2S6]
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
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7056]
_cell_length_b [3.8061]
_cell_length_c [9.9656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0434]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbHfAuS3]
_chemical_formula_sum '[Rb2 Hf2 Au2 S6]'
_cell_volume [301.5546]
_cell_formula_units_Z [2]
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  2  0.2626  0.7500  0.2767  1.0
  Hf  Hf1  2  0.3154  0.2500  0.8335  1.0
  Au  Au2  2  0.0159  0.7500  0.6106  1.0
  S  S3  2  0.1332  0.7500  0.8725  1.0
  S  S4  2  0.2731  0.2500  0.5730  1.0
  S  S5  2  0.4671  0.2500  0.1257  1.0
]