data_[Ca4Zn12Cu4Au4]
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
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.2237]
_cell_length_b [11.1363]
_cell_length_c [5.3909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CaZn3CuAu]
_chemical_formula_sum '[Ca4 Zn12 Cu4 Au4]'
_cell_volume [493.7121]
_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  4  0.0000  0.3010  0.7500  1
  Zn  Zn1  8  0.2474  0.0000  0.0000  1
  Zn  Zn2  4  0.0000  0.1737  0.2500  1
  Cu  Cu3  4  0.0000  0.0420  0.7500  1
  Au  Au4  4  0.0000  0.4094  0.2500  1
]