data_[Ca8Zn4Ag4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.0680]
_cell_length_b [15.1075]
_cell_length_c [5.9771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ca2ZnAgAu2]
_chemical_formula_sum '[Ca8 Zn4 Ag4 Au8]'
_cell_volume [547.9340]
_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
[
  Ca  Ca0  8  0.2304  0.8299  0.5000  1.0
  Zn  Zn1  4  0.0000  0.5000  0.2500  1.0
  Ag  Ag2  4  0.0000  0.0000  0.2500  1.0
  Au  Au3  8  0.2226  0.3768  0.0000  1.0
]