data_[Y2Mn16Fe8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.3636]
_cell_length_b [8.3636]
_cell_length_c [4.7103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Y(Mn2Fe)4]
_chemical_formula_sum '[Y2 Mn16 Fe8]'
_cell_volume [329.4898]
_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
[
  Y  Y0  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  8  0.0000  0.2317  0.5000  1.0
  Mn  Mn2  8  0.0000  0.3584  0.0000  1.0
  Fe  Fe3  8  0.2500  0.2500  0.2500  1.0
]