data_[Be4Zn8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.2560]
_cell_length_b [4.1929]
_cell_length_c [4.8112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeZn2Au]
_chemical_formula_sum '[Be4 Zn8 Au4]'
_cell_volume [232.0486]
_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
[
  Be  Be0  2  0.0437  0.0000  0.2934  1.0
  Be  Be1  2  0.2514  0.0000  0.4601  1.0
  Zn  Zn2  2  0.1373  0.0000  0.8578  1.0
  Zn  Zn3  2  0.2547  0.5000  0.7626  1.0
  Zn  Zn4  2  0.3844  0.0000  0.0027  1.0
  Zn  Zn5  2  0.4975  0.0000  0.5989  1.0
  Au  Au6  2  0.1173  0.5000  0.1864  1.0
  Au  Au7  2  0.3638  0.5000  0.3608  1.0
]