data_[Y4Zn4Au12]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.6569]
_cell_length_b [4.3717]
_cell_length_c [10.7355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YZnAu3]
_chemical_formula_sum '[Y4 Zn4 Au12]'
_cell_volume [406.2887]
_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  4  0.1982  0.2500  0.0002  1.0
  Zn  Zn1  4  0.1137  0.2500  0.6497  1.0
  Au  Au2  4  0.0596  0.2500  0.4087  1.0
  Au  Au3  4  0.0888  0.7500  0.1691  1.0
  Au  Au4  4  0.1459  0.7500  0.8014  1.0
]