data_[Cs4Hf4Br20]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.5514]
_cell_length_b [7.9464]
_cell_length_c [10.8512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsHfBr5]
_chemical_formula_sum '[Cs4 Hf4 Br20]'
_cell_volume [1164.4597]
_cell_formula_units_Z [4]
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  4  0.0000  0.4980  0.2500  1
  Hf  Hf1  4  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.1330  0.2335  0.5590  1
  Br  Br3  8  0.1365  0.2275  0.0758  1
  Br  Br4  4  0.0000  0.0205  0.7500  1
]