data_[Ca3Hf3Cr6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Hf  1.3000  1.5500  0.8500
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.3548]
_cell_length_b [5.3548]
_cell_length_c [14.0127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CaHfCr2O6]
_chemical_formula_sum '[Ca3 Hf3 Cr6 O18]'
_cell_volume [347.9704]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.2065  1.0
  Hf  Hf1  3  0.0000  0.0000  0.6909  1.0
  Cr  Cr2  3  0.0000  0.0000  0.4829  1.0
  Cr  Cr3  3  0.0000  0.0000  0.9859  1.0
  O  O4  9  0.0097  0.3680  0.7419  1.0
  O  O5  9  0.0255  0.6063  0.2490  1.0
]