data_[Yb20Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.1247]
_cell_length_b [8.1247]
_cell_length_c [15.2626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Yb5Sn3]
_chemical_formula_sum '[Yb20 Sn12]'
_cell_volume [1007.4984]
_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
[
  Yb  Yb0  16  0.1744  0.3256  0.6432  1.0
  Yb  Yb1  4  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  8  0.1260  0.3740  0.0000  1.0
  Sn  Sn3  4  0.0000  0.0000  0.2500  1.0
]