data_[Ba4Zn12Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3911]
_cell_length_b [6.6399]
_cell_length_c [9.3672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaZn3Au]
_chemical_formula_sum '[Ba4 Zn12 Au4]'
_cell_volume [480.9148]
_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
[
  Ba  Ba0  4  0.3399  0.5034  0.2687  1.0
  Zn  Zn1  4  0.0803  0.2050  0.3962  1.0
  Zn  Zn2  4  0.1721  0.0065  0.1154  1.0
  Zn  Zn3  4  0.3485  0.0022  0.4000  1.0
  Au  Au4  4  0.0815  0.7072  0.9062  1.0
]