data_[Mn18Fe2O20]
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 [C2/m]
_cell_length_a [13.9638]
_cell_length_b [3.1761]
_cell_length_c [10.5968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1065]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn9FeO10]
_chemical_formula_sum '[Mn18 Fe2 O20]'
_cell_volume [459.5261]
_cell_formula_units_Z [2]
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  4  0.1000  0.0000  0.3000  1.0
  Mn  Mn1  4  0.1005  0.5000  0.8023  1.0
  Mn  Mn2  4  0.1986  0.5000  0.0984  1.0
  Mn  Mn3  4  0.2002  0.0000  0.6011  1.0
  Mn  Mn4  2  0.0000  0.5000  0.5000  1.0
  Fe  Fe5  2  0.0000  0.0000  0.0000  1.0
  O  O6  4  0.0484  0.5000  0.1460  1.0
  O  O7  4  0.0500  0.0000  0.6508  1.0
  O  O8  4  0.1496  0.0000  0.9504  1.0
  O  O9  4  0.1501  0.5000  0.4496  1.0
  O  O10  4  0.2491  0.0000  0.2495  1.0
]