data_[Sc6Ti3Fe3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.2748]
_cell_length_b [5.2748]
_cell_length_c [14.1887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Sc2TiFeO6]
_chemical_formula_sum '[Sc6 Ti3 Fe3 O18]'
_cell_volume [341.8880]
_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
[
  Sc  Sc0  3  0.0000  0.0000  0.0203  1
  Sc  Sc1  3  0.0000  0.0000  0.5187  1
  Ti  Ti2  3  0.0000  0.0000  0.3113  1
  Fe  Fe3  3  0.0000  0.0000  0.8067  1
  O  O4  9  0.0010  0.3610  0.5854  1
  O  O5  9  0.0468  0.6678  0.0787  1
]