data_[Hf3Mg3Sc6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.3524]
_cell_length_b [5.3524]
_cell_length_c [14.3412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [HfMgSc2O6]
_chemical_formula_sum '[Hf3 Mg3 Sc6 O18]'
_cell_volume [355.8019]
_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  0.3119  1.0
  Mg  Mg1  3  0.0000  0.0000  0.8106  1.0
  Sc  Sc2  3  0.0000  0.0000  0.0238  1.0
  Sc  Sc3  3  0.0000  0.0000  0.5214  1.0
  O  O4  9  0.0073  0.3075  0.9165  1.0
  O  O5  9  0.0380  0.6675  0.0814  1.0
]