data_[Ba4Cu2Au2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0068]
_cell_length_b [4.3198]
_cell_length_c [9.2857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2CuAuN]
_chemical_formula_sum '[Ba4 Cu2 Au2 N2]'
_cell_volume [265.2797]
_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  2  0.1887  0.2500  0.3750  1.0
  Ba  Ba1  2  0.2150  0.2500  0.9663  1.0
  Cu  Cu2  2  0.4607  0.7500  0.2517  1.0
  Au  Au3  2  0.3220  0.7500  0.6936  1.0
  N  N4  2  0.1780  0.7500  0.1680  1.0
]