data_[Mn4Cr2Fe12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7607]
_cell_length_b [4.0174]
_cell_length_c [4.7106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2CrFe6]
_chemical_formula_sum '[Mn4 Cr2 Fe12]'
_cell_volume [206.0570]
_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  0.1111  0.0000  0.0457  1
  Cr  Cr1  2  0.0000  0.0000  0.5000  1
  Fe  Fe2  4  0.0548  0.5000  0.2757  1
  Fe  Fe3  4  0.1671  0.5000  0.8319  1
  Fe  Fe4  4  0.2235  0.0000  0.6146  1
]