data_[Be8Au8]
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 [P2_12_12_1]
_cell_length_a [4.3899]
_cell_length_b [4.9309]
_cell_length_c [9.7188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [BeAu]
_chemical_formula_sum '[Be8 Au8]'
_cell_volume [210.3753]
_cell_formula_units_Z [8]
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  0.1818  0.1833  0.2980  1.0
  Be  Be1  4  0.2045  0.4267  0.0824  1.0
  Au  Au2  4  0.1847  0.3213  0.8110  1.0
  Au  Au3  4  0.1877  0.9325  0.0358  1.0
]