data_[Be8Au12]
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 [Pnma]
_cell_length_a [5.3546]
_cell_length_b [4.1655]
_cell_length_c [12.7807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Be2Au3]
_chemical_formula_sum '[Be8 Au12]'
_cell_volume [285.0679]
_cell_formula_units_Z [4]
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  0.0130  0.2500  0.1453  1
  Be  Be1  4  0.1388  0.7500  0.4574  1
  Au  Au2  4  0.0141  0.7500  0.6421  1
  Au  Au3  4  0.1676  0.7500  0.0402  1
  Au  Au4  4  0.1755  0.2500  0.7870  1
]