data_[Y20Sb8]
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 [C2/c]
_cell_length_a [16.1763]
_cell_length_b [6.3499]
_cell_length_c [8.2200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y5Sb2]
_chemical_formula_sum '[Y20 Sb8]'
_cell_volume [838.9219]
_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  0.0921  0.1301  0.4264  1.0
  Y  Y1  8  0.2294  0.4212  0.8231  1.0
  Y  Y2  4  0.0000  0.3503  0.7500  1.0
  Sb  Sb3  8  0.1033  0.3286  0.0818  1.0
]