data_[Ba2Hf1Bi1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hf  1.3000  1.5500  0.8500
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0774]
_cell_length_b [6.0801]
_cell_length_c [6.1022]
_cell_angle_alpha [60.2318]
_cell_angle_beta [60.1874]
_cell_angle_gamma [89.9572]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2HfBiO6]
_chemical_formula_sum '[Ba2 Hf1 Bi1 O6]'
_cell_volume [160.5045]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  2  0.2485  0.7479  0.5007  1.0
  Hf  Hf1  1  0.5000  0.5000  0.0000  1.0
  Bi  Bi2  1  0.0000  0.0000  0.0000  1.0
  O  O3  2  0.2225  0.2975  0.0008  1.0
  O  O4  2  0.2491  0.2737  0.4797  1.0
  O  O5  2  0.3085  0.7874  0.9783  1.0
]