data_[Ba8Cd1Au2N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5651]
_cell_length_b [9.7592]
_cell_length_c [7.6592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba8CdAu2N]
_chemical_formula_sum '[Ba8 Cd1 Au2 N1]'
_cell_volume [565.0985]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  4  0.1989  0.2041  0.1772  1.0
  Ba  Ba1  2  0.2590  0.0000  0.7215  1.0
  Ba  Ba2  2  0.2954  0.5000  0.6749  1.0
  Cd  Cd3  1  0.0000  0.5000  0.0000  1.0
  Au  Au4  2  0.5000  0.2333  0.5000  1.0
  N  N5  1  0.0000  0.0000  0.0000  1.0
]