data_[Zn12In4Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.1298]
_cell_length_b [13.6048]
_cell_length_c [7.0736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Zn3InAu6]
_chemical_formula_sum '[Zn12 In4 Au24]'
_cell_volume [782.3684]
_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
[
  Zn  Zn0  8  0.1995  0.1010  0.0192  1.0
  Zn  Zn1  4  0.0000  0.4130  0.8219  1.0
  In  In2  4  0.0000  0.1677  0.4485  1.0
  Au  Au3  8  0.1706  0.4421  0.1707  1.0
  Au  Au4  8  0.1886  0.2557  0.7509  1.0
  Au  Au5  4  0.0000  0.0198  0.7471  1.0
  Au  Au6  4  0.0000  0.2580  0.0863  1.0
]