data_[Au6Se6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.0313]
_cell_length_b [10.6160]
_cell_length_c [18.0971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Au3Se3N]
_chemical_formula_sum '[Au6 Se6 N2]'
_cell_volume [1350.8412]
_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
[
  Au  Au0  4  0.4193  0.3490  0.5103  1
  Au  Au1  2  0.0665  0.5000  0.4313  1
  Se  Se2  4  0.1398  0.2762  0.4321  1
  Se  Se3  2  0.0641  0.0000  0.6025  1
  N  N4  2  0.3079  0.5000  0.5813  1
]