data_[Be2Sb2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.1958]
_cell_length_b [4.4170]
_cell_length_c [8.7698]
_cell_angle_alpha [81.5694]
_cell_angle_beta [84.8221]
_cell_angle_gamma [68.8500]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BeSbAu]
_chemical_formula_sum '[Be2 Sb2 Au2]'
_cell_volume [114.1120]
_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  1  0.5767  0.3199  0.6994  1.0
  Be  Be1  1  0.8699  0.7617  0.5983  1.0
  Sb  Sb2  1  0.8912  0.8335  0.2971  1.0
  Sb  Sb3  1  0.9317  0.3688  0.9846  1.0
  Au  Au4  1  0.1681  0.2396  0.4948  1.0
  Au  Au5  1  0.2711  0.8579  0.7931  1.0
]