data_[Cs2Rb1Hf1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Hf  1.3000  1.5500  0.8500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5107]
_cell_length_b [7.4004]
_cell_length_c [9.4895]
_cell_angle_alpha [90.7608]
_cell_angle_beta [104.9942]
_cell_angle_gamma [90.1473]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2RbHfCl8]
_chemical_formula_sum '[Cs2 Rb1 Hf1 Cl8]'
_cell_volume [441.6014]
_cell_formula_units_Z [1]
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  0.3628  0.4985  0.2027  1.0
  Rb  Rb1  1  0.0000  0.0000  0.5000  1.0
  Hf  Hf2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1624  0.7540  0.8898  1.0
  Cl  Cl4  2  0.1802  0.2235  0.8822  1.0
  Cl  Cl5  2  0.1853  0.5741  0.5096  1.0
  Cl  Cl6  2  0.2995  0.0032  0.2240  1.0
]