data_[Hf3Cr6Ni3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.1895]
_cell_length_b [5.1895]
_cell_length_c [13.9738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [HfCr2NiO6]
_chemical_formula_sum '[Hf3 Cr6 Ni3 O18]'
_cell_volume [325.9099]
_cell_formula_units_Z [3]
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
[
  Hf  Hf0  3  0.0000  0.0000  0.8090  1.0
  Cr  Cr1  3  0.0000  0.0000  0.0135  1.0
  Cr  Cr2  3  0.0000  0.0000  0.5165  1.0
  Ni  Ni3  3  0.0000  0.0000  0.3135  1.0
  O  O4  9  0.0380  0.6822  0.0856  1.0
  O  O5  9  0.0426  0.3610  0.5839  1.0
]