data_[Ca3Er6Hf3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Er  1.2400  1.7500  1.0300
  Hf  1.3000  1.5500  0.8500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.6865]
_cell_length_b [5.6865]
_cell_length_c [15.0042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CaEr2HfO6]
_chemical_formula_sum '[Ca3 Er6 Hf3 O18]'
_cell_volume [420.1806]
_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  0.1965  1.0
  Er  Er1  3  0.0000  0.0000  0.4749  1.0
  Er  Er2  3  0.0000  0.0000  0.9783  1.0
  Hf  Hf3  3  0.0000  0.0000  0.6852  1.0
  O  O4  9  0.0141  0.7288  0.5876  1.0
  O  O5  9  0.0320  0.3412  0.7470  1.0
]