data_[Hf3Ti3Mn6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.3446]
_cell_length_b [5.3446]
_cell_length_c [14.1698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [HfTiMn2O6]
_chemical_formula_sum '[Hf3 Ti3 Mn6 O18]'
_cell_volume [350.5317]
_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  0.8125  1.0
  Ti  Ti1  3  0.0000  0.0000  0.3116  1.0
  Mn  Mn2  3  0.0000  0.0000  0.0323  1.0
  Mn  Mn3  3  0.0000  0.0000  0.5293  1.0
  O  O4  9  0.0027  0.3844  0.5807  1.0
  O  O5  9  0.0229  0.6321  0.0777  1.0
]