data_[Cu8Ag1Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.7746]
_cell_length_b [4.3244]
_cell_length_c [16.1471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Cu8AgAu4]
_chemical_formula_sum '[Cu8 Ag1 Au4]'
_cell_volume [193.7373]
_cell_formula_units_Z [1]
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
[
  Cu  Cu0  1  0.0000  0.0000  0.2258  1
  Cu  Cu1  1  0.0000  0.0000  0.5093  1
  Cu  Cu2  1  0.0000  0.5000  0.4195  1
  Cu  Cu3  1  0.0000  0.5000  0.7711  1
  Cu  Cu4  1  0.5000  0.0000  0.0944  1
  Cu  Cu5  1  0.5000  0.0000  0.8131  1
  Cu  Cu6  1  0.5000  0.5000  0.2703  1
  Cu  Cu7  1  0.5000  0.5000  0.9043  1
  Ag  Ag8  1  0.0000  0.0000  0.6710  1
  Au  Au9  1  0.0000  0.0000  0.9560  1
  Au  Au10  1  0.0000  0.5000  0.1220  1
  Au  Au11  1  0.5000  0.0000  0.3672  1
  Au  Au12  1  0.5000  0.5000  0.5730  1
]