data_[Cs4Hf4Bi16]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.3664]
_cell_length_b [9.8721]
_cell_length_c [18.9952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CsHfBi4]
_chemical_formula_sum '[Cs4 Hf4 Bi16]'
_cell_volume [1006.3298]
_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  0.0000  0.1882  1
  Hf  Hf1  4  0.2494  0.5000  0.0000  1
  Bi  Bi2  8  0.0000  0.2041  0.3955  1
  Bi  Bi3  4  0.0000  0.2140  0.0000  1
  Bi  Bi4  4  0.0000  0.5000  0.1478  1
]