data_[Cs4Hf2Re4]
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
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2696]
_cell_length_b [4.2696]
_cell_length_c [16.3860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs2HfRe2]
_chemical_formula_sum '[Cs4 Hf2 Re4]'
_cell_volume [298.7028]
_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  0.5000  0.2500  1
  Hf  Hf1  2  0.0000  0.0000  0.0000  1
  Re  Re2  4  0.0000  0.0000  0.4339  1
]