data_[Be2Zn4Au16]
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 [C2/m]
_cell_length_a [14.9650]
_cell_length_b [4.5199]
_cell_length_c [5.9888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be(ZnAu4)2]
_chemical_formula_sum '[Be2 Zn4 Au16]'
_cell_volume [373.6195]
_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
[
  Be  Be0  2  0.0000  0.5000  0.0000  1.0
  Zn  Zn1  4  0.1826  0.0000  0.6836  1.0
  Au  Au2  4  0.0039  0.0000  0.7569  1.0
  Au  Au3  4  0.1229  0.5000  0.3922  1.0
  Au  Au4  4  0.1329  0.5000  0.8810  1.0
  Au  Au5  4  0.1926  0.0000  0.2072  1.0
]