data_[Si4B4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  B  2.0400  0.8500  0.4100
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6419]
_cell_length_b [3.0647]
_cell_length_c [6.2964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6162]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SiBAu]
_chemical_formula_sum '[Si4 B4 Au4]'
_cell_volume [185.1700]
_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
[
  Si  Si0  4  0.0136  0.0000  0.6962  1
  B  B1  4  0.2112  0.0000  0.9633  1
  Au  Au2  4  0.1442  0.5000  0.2318  1
]