data_[Be8Ag2Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [7.6085]
_cell_length_b [7.6085]
_cell_length_c [4.4355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Be4AgAu4]
_chemical_formula_sum '[Be8 Ag2 Au8]'
_cell_volume [256.7702]
_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  8  0.1108  0.7974  0.6040  1
  Ag  Ag1  2  0.0000  0.0000  0.0000  1
  Au  Au2  8  0.1138  0.6531  0.1006  1
]