data_[Ba4Zn12Ga2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [12.5212]
_cell_length_b [6.1851]
_cell_length_c [7.9055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.8286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Zn6GaAu]
_chemical_formula_sum '[Ba4 Zn12 Ga2 Au2]'
_cell_volume [476.9524]
_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
[
  Ba  Ba0  4  0.2371  0.5000  0.3256  1.0
  Zn  Zn1  8  0.0614  0.2300  0.7978  1.0
  Zn  Zn2  4  0.2485  0.5000  0.8649  1.0
  Ga  Ga3  2  0.0000  0.0000  0.0000  1.0
  Au  Au4  2  0.0000  0.5000  0.5000  1.0
]