data_[Cs2Hf2Al2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [6.3341]
_cell_length_b [6.8276]
_cell_length_c [8.8542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsHfAlS4]
_chemical_formula_sum '[Cs2 Hf2 Al2 S8]'
_cell_volume [381.1776]
_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
[
  Cs  Cs0  2  0.2846  0.2500  0.9381  1.0
  Hf  Hf1  2  0.3260  0.7500  0.5406  1.0
  Al  Al2  2  0.1470  0.2500  0.3580  1.0
  S  S3  4  0.3917  0.0071  0.3282  1.0
  S  S4  2  0.0413  0.2500  0.5879  1.0
  S  S5  2  0.1555  0.7500  0.7924  1.0
]