data_[Mn18Fe3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.6120]
_cell_length_b [8.6120]
_cell_length_c [9.3532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mn6FeO12]
_chemical_formula_sum '[Mn18 Fe3 O36]'
_cell_volume [600.7541]
_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
[
  Mn  Mn0  18  0.0378  0.7824  0.6799  1
  Fe  Fe1  3  0.0000  0.0000  0.0000  1
  O  O2  18  0.0218  0.8176  0.3787  1
  O  O3  18  0.0230  0.8223  0.8918  1
]