data_[Rb2Hf2Al2S8]
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
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3149]
_cell_length_b [6.7771]
_cell_length_c [8.5141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbHfAlS4]
_chemical_formula_sum '[Rb2 Hf2 Al2 S8]'
_cell_volume [363.0590]
_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  0.2826  0.2500  0.9359  1.0
  Hf  Hf1  2  0.3239  0.7500  0.5425  1.0
  Al  Al2  2  0.1502  0.2500  0.3525  1.0
  S  S3  4  0.3958  0.0058  0.3203  1.0
  S  S4  2  0.0428  0.2500  0.5919  1.0
  S  S5  2  0.1500  0.7500  0.8042  1.0
]