data_[Si2Au2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.0269]
_cell_length_b [5.3168]
_cell_length_c [7.0378]
_cell_angle_alpha [82.7185]
_cell_angle_beta [78.5190]
_cell_angle_gamma [74.5063]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SiAuN]
_chemical_formula_sum '[Si2 Au2 N2]'
_cell_volume [106.6372]
_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
[
  Si  Si0  2  0.3158  0.0047  0.3532  1
  Au  Au1  2  0.3247  0.2776  0.0620  1
  N  N2  2  0.1370  0.1518  0.5901  1
]