data_[Y12Zn12]
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 [Pbcm]
_cell_length_a [6.9089]
_cell_length_b [17.0759]
_cell_length_c [4.6408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [YZn]
_chemical_formula_sum '[Y12 Zn12]'
_cell_volume [547.5063]
_cell_formula_units_Z [12]
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  0.0419  0.1679  0.2500  1
  Y  Y1  4  0.1613  0.5392  0.7500  1
  Y  Y2  4  0.4740  0.6152  0.2500  1
  Zn  Zn3  4  0.2670  0.7086  0.7500  1
  Zn  Zn4  4  0.2758  0.0611  0.7500  1
  Zn  Zn5  4  0.3501  0.2099  0.7500  1
]