data_[Ca2Al2Zn4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0662]
_cell_length_b [4.2567]
_cell_length_c [11.5169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CaAlZn2Au]
_chemical_formula_sum '[Ca2 Al2 Zn4 Au2]'
_cell_volume [199.3401]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.4431  1.0
  Al  Al1  2  0.0000  0.5000  0.1901  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0559  1.0
  Zn  Zn3  2  0.0000  0.5000  0.6918  1.0
  Au  Au4  2  0.0000  0.0000  0.8313  1.0
]