data_[Cs8Hf4Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.5867]
_cell_length_b [7.5867]
_cell_length_c [18.1430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs4Hf2Sb]
_chemical_formula_sum '[Cs8 Hf4 Sb2]'
_cell_volume [1044.2874]
_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  4  0.0000  0.0000  0.1994  1
  Cs  Cs1  4  0.0000  0.5000  0.0000  1
  Hf  Hf2  4  0.0000  0.0000  0.4321  1
  Sb  Sb3  2  0.0000  0.0000  0.0000  1
]