data_[Tm6Hf3Mg3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Hf  1.3000  1.5500  0.8500
  Mg  1.3100  1.5000  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.5250]
_cell_length_b [5.5250]
_cell_length_c [14.4937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Tm2HfMgO6]
_chemical_formula_sum '[Tm6 Hf3 Mg3 O18]'
_cell_volume [383.1558]
_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
[
  Tm  Tm0  3  0.0000  0.0000  0.4732  1.0
  Tm  Tm1  3  0.0000  0.0000  0.9721  1.0
  Hf  Hf2  3  0.0000  0.0000  0.6869  1.0
  Mg  Mg3  3  0.0000  0.0000  0.1896  1.0
  O  O4  9  0.0515  0.3516  0.7519  1.0
  O  O5  9  0.0549  0.6906  0.2538  1.0
]