data_[Zn2Ga4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8346]
_cell_length_b [4.2265]
_cell_length_c [7.8870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn(GaAu3)2]
_chemical_formula_sum '[Zn2 Ga4 Au12]'
_cell_volume [355.6857]
_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
[
  Zn  Zn0  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga1  4  0.2137  0.0000  0.2895  1.0
  Au  Au2  4  0.0442  0.0000  0.8569  1.0
  Au  Au3  4  0.0966  0.5000  0.3885  1.0
  Au  Au4  4  0.1988  0.5000  0.0834  1.0
]