data_[Ba12Bi4Au2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8269]
_cell_length_b [9.0730]
_cell_length_c [13.6666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Bi2AuN]
_chemical_formula_sum '[Ba12 Bi4 Au2 N2]'
_cell_volume [814.4010]
_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
[
  Ba  Ba0  4  0.1215  0.5300  0.2293  1.0
  Ba  Ba1  4  0.2013  0.2143  0.0502  1.0
  Ba  Ba2  4  0.3533  0.6644  0.0516  1.0
  Bi  Bi3  4  0.2987  0.5992  0.7490  1.0
  Au  Au4  2  0.5000  0.0000  0.0000  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]