data_[Y4Fe16Sn24]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [9.4600]
_cell_length_b [9.5400]
_cell_length_c [9.5575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Y(Fe2Sn3)2]
_chemical_formula_sum '[Y4 Fe16 Sn24]'
_cell_volume [862.5461]
_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  4  0.0000  0.0000  0.9958  1.0
  Fe  Fe1  8  0.0000  0.1629  0.4275  1.0
  Fe  Fe2  8  0.1635  0.0000  0.5770  1.0
  Sn  Sn3  8  0.0000  0.1835  0.7108  1.0
  Sn  Sn4  8  0.1797  0.0000  0.2886  1.0
  Sn  Sn5  8  0.2500  0.2500  0.4975  1.0
]