data_[Y24Cd4Fe8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.4903]
_cell_length_b [9.6829]
_cell_length_c [10.0710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y6CdFe2]
_chemical_formula_sum '[Y24 Cd4 Fe8]'
_cell_volume [925.4615]
_cell_formula_units_Z [4]
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  8  0.0000  0.2122  0.2274  1
  Y  Y1  8  0.2033  0.5000  0.1879  1
  Y  Y2  8  0.2098  0.3124  0.5000  1
  Cd  Cd3  2  0.0000  0.0000  0.0000  1
  Cd  Cd4  2  0.0000  0.0000  0.5000  1
  Fe  Fe5  4  0.0000  0.3867  0.0000  1
  Fe  Fe6  4  0.0000  0.5000  0.3923  1
]