data_[Y20Zn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.3219]
_cell_length_b [6.9837]
_cell_length_c [6.7526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y5Zn2]
_chemical_formula_sum '[Y20 Zn8]'
_cell_volume [769.3829]
_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  0.0927  0.1348  0.9931  1.0
  Y  Y1  8  0.2256  0.4673  0.2667  1.0
  Y  Y2  4  0.0000  0.4925  0.2500  1.0
  Zn  Zn3  8  0.1124  0.2641  0.5219  1.0
]