data_[Mn2Fe13]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0186]
_cell_length_b [6.3255]
_cell_length_c [6.5060]
_cell_angle_alpha [61.8940]
_cell_angle_beta [76.0177]
_cell_angle_gamma [79.9155]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mn2Fe13]
_chemical_formula_sum '[Mn2 Fe13]'
_cell_volume [176.3279]
_cell_formula_units_Z [1]
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  2  0.1680  0.4612  0.8294  1
  Fe  Fe1  2  0.0629  0.7099  0.4307  1
  Fe  Fe2  2  0.1964  0.1128  0.2899  1
  Fe  Fe3  2  0.3002  0.5275  0.1285  1
  Fe  Fe4  2  0.3055  0.8837  0.7169  1
  Fe  Fe5  2  0.4273  0.3204  0.5046  1
  Fe  Fe6  2  0.4802  0.8237  0.1266  1
  Fe  Fe7  1  0.0000  0.0000  0.0000  1
]