data_[Ba12Pd2Au4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pd  2.2000  1.4000  0.8462
  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 [7.7176]
_cell_length_b [8.4651]
_cell_length_c [13.6612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6PdAu2N]
_chemical_formula_sum '[Ba12 Pd2 Au4 N2]'
_cell_volume [739.8050]
_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  0.1109  0.5347  0.2322  1.0
  Ba  Ba1  4  0.2270  0.2032  0.0610  1.0
  Ba  Ba2  4  0.3541  0.6714  0.0573  1.0
  Pd  Pd3  2  0.5000  0.0000  0.0000  1.0
  Au  Au4  4  0.2935  0.5977  0.7509  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]