data_[Cs1Rb2Hf1Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2090]
_cell_length_b [7.5829]
_cell_length_c [10.1496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsRb2HfBr8]
_chemical_formula_sum '[Cs1 Rb2 Hf1 Br8]'
_cell_volume [458.2810]
_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  1  0.0000  0.0000  0.5000  1.0
  Rb  Rb1  2  0.3413  0.5000  0.1875  1.0
  Hf  Hf2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.1812  0.2454  0.8837  1.0
  Br  Br4  2  0.2442  0.5000  0.5026  1.0
  Br  Br5  2  0.3423  0.0000  0.2235  1.0
]