data_[Hf3Mn3Al6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.1371]
_cell_length_b [5.1371]
_cell_length_c [13.4203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [HfMnAl2O6]
_chemical_formula_sum '[Hf3 Mn3 Al6 O18]'
_cell_volume [306.7081]
_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  0.6966  1
  Mn  Mn1  3  0.0000  0.0000  0.2051  1
  Al  Al2  3  0.0000  0.0000  0.4827  1
  Al  Al3  3  0.0000  0.0000  0.9824  1
  O  O4  9  0.0080  0.3841  0.7434  1
  O  O5  9  0.0169  0.6088  0.2471  1
]