data_[Zn2Ga6Au12]
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 [P2_1/m]
_cell_length_a [11.3495]
_cell_length_b [3.0883]
_cell_length_c [11.6111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zn(GaAu2)3]
_chemical_formula_sum '[Zn2 Ga6 Au12]'
_cell_volume [359.2438]
_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  0.0793  0.7500  0.3580  1.0
  Ga  Ga1  2  0.2244  0.7500  0.0627  1.0
  Ga  Ga2  2  0.3550  0.2500  0.7884  1.0
  Ga  Ga3  2  0.4914  0.2500  0.3317  1.0
  Au  Au4  2  0.0531  0.2500  0.1306  1.0
  Au  Au5  2  0.1087  0.7500  0.6104  1.0
  Au  Au6  2  0.1611  0.2500  0.8499  1.0
  Au  Au7  2  0.2929  0.2500  0.5328  1.0
  Au  Au8  2  0.2951  0.7500  0.3165  1.0
  Au  Au9  2  0.4324  0.2500  0.0729  1.0
]