data_[Mg4Be6Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Be  1.5700  1.0500  0.5900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7733]
_cell_length_b [5.4187]
_cell_length_c [7.5688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9054]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2Be3Au8]
_chemical_formula_sum '[Mg4 Be6 Au16]'
_cell_volume [434.7962]
_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
[
  Mg  Mg0  4  0.1242  0.5000  0.7476  1.0
  Be  Be1  4  0.0000  0.2756  0.0000  1.0
  Be  Be2  2  0.0000  0.0000  0.5000  1.0
  Au  Au3  8  0.1128  0.2499  0.4095  1.0
  Au  Au4  4  0.1215  0.0000  0.9365  1.0
  Au  Au5  4  0.1964  0.5000  0.1694  1.0
]