data_[Be2Si2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1317]
_cell_length_b [4.1412]
_cell_length_c [6.5089]
_cell_angle_alpha [95.5212]
_cell_angle_beta [92.6719]
_cell_angle_gamma [119.6572]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BeSiAu]
_chemical_formula_sum '[Be2 Si2 Au2]'
_cell_volume [95.7580]
_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  2  0.2290  0.4092  0.3397  1.0
  Si  Si1  2  0.4723  0.9586  0.8143  1.0
  Au  Au2  2  0.1161  0.2681  0.7042  1.0
]