data_[Na4Hf2Re2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.5139]
_cell_length_b [5.5139]
_cell_length_c [7.9222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Na2HfReO6]
_chemical_formula_sum '[Na4 Hf2 Re2 O12]'
_cell_volume [240.8578]
_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
[
  Na  Na0  4  0.0000  0.5000  0.2500  1
  Hf  Hf1  2  0.0000  0.0000  0.5000  1
  Re  Re2  2  0.0000  0.0000  0.0000  1
  O  O3  8  0.1941  0.7123  0.0000  1
  O  O4  4  0.0000  0.0000  0.2416  1
]