data_[Be4Sb4Au4]
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 [C2/m]
_cell_length_a [7.7437]
_cell_length_b [3.7656]
_cell_length_c [7.9532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BeSbAu]
_chemical_formula_sum '[Be4 Sb4 Au4]'
_cell_volume [230.7427]
_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  0.2373  0.5000  0.1033  1.0
  Sb  Sb1  4  0.1450  0.0000  0.3527  1.0
  Au  Au2  4  0.0713  0.5000  0.8389  1.0
]