data_[Be4Au8]
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 [Cm]
_cell_length_a [10.7911]
_cell_length_b [2.9189]
_cell_length_c [7.0366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeAu2]
_chemical_formula_sum '[Be4 Au8]'
_cell_volume [182.3303]
_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  2  0.0466  0.0000  0.5069  1.0
  Be  Be1  2  0.3212  0.5000  0.0614  1.0
  Au  Au2  2  0.0634  0.5000  0.2514  1.0
  Au  Au3  2  0.0881  0.0000  0.8753  1.0
  Au  Au4  2  0.3098  0.0000  0.7623  1.0
  Au  Au5  2  0.3377  0.0000  0.3760  1.0
]