data_[Mn4Al10Fe2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8122]
_cell_length_b [3.8122]
_cell_length_c [14.9250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Mn2Al5Fe]
_chemical_formula_sum '[Mn4 Al10 Fe2]'
_cell_volume [216.9046]
_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  0.0000  0.0000  0.2501  1.0
  Al  Al1  8  0.0000  0.5000  0.1312  1.0
  Al  Al2  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe3  2  0.0000  0.0000  0.0000  1.0
]