data_[Y24Fe8Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.6023]
_cell_length_b [9.6114]
_cell_length_c [10.0425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y6Fe2Sb]
_chemical_formula_sum '[Y24 Fe8 Sb4]'
_cell_volume [926.8339]
_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  0.3025  0.3146  1
  Y  Y1  8  0.1859  0.2840  0.0000  1
  Y  Y2  8  0.2158  0.0000  0.2310  1
  Fe  Fe3  4  0.0000  0.5000  0.1067  1
  Fe  Fe4  4  0.1120  0.5000  0.5000  1
  Sb  Sb5  2  0.0000  0.0000  0.0000  1
  Sb  Sb6  2  0.0000  0.0000  0.5000  1
]