data_[Y24Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [12.5162]
_cell_length_b [12.5162]
_cell_length_c [6.1380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Y3Sb]
_chemical_formula_sum '[Y24 Sb8]'
_cell_volume [961.5546]
_cell_formula_units_Z [8]
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  0.0340  0.6407  0.0200  1.0
  Y  Y1  8  0.0804  0.1088  0.2435  1.0
  Y  Y2  8  0.1752  0.2166  0.7501  1.0
  Sb  Sb3  8  0.0455  0.6993  0.5246  1.0
]