data_[Be10Au14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [12.8197]
_cell_length_b [3.0590]
_cell_length_c [10.7859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be5Au7]
_chemical_formula_sum '[Be10 Au14]'
_cell_volume [348.4283]
_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  4  0.0397  0.0000  0.7629  1.0
  Be  Be1  4  0.1934  0.5000  0.5348  1.0
  Be  Be2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  4  0.1300  0.5000  0.2856  1.0
  Au  Au4  4  0.1317  0.5000  0.9797  1.0
  Au  Au5  4  0.1884  0.5000  0.7545  1.0
  Au  Au6  2  0.0000  0.0000  0.5000  1.0
]