data_[Ba20Pt4Au8N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6284]
_cell_length_b [19.1476]
_cell_length_c [14.4200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5PtAu2N]
_chemical_formula_sum '[Ba20 Pt4 Au8 N4]'
_cell_volume [1277.9462]
_cell_formula_units_Z [4]
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  0.0000  0.0433  0.0294  1.0
  Ba  Ba1  4  0.0000  0.2776  0.6731  1.0
  Ba  Ba2  4  0.0000  0.3321  0.3859  1.0
  Ba  Ba3  4  0.0000  0.3732  0.9980  1.0
  Ba  Ba4  4  0.0000  0.4896  0.7774  1.0
  Pt  Pt5  4  0.0000  0.2085  0.0248  1.0
  Au  Au6  4  0.0000  0.1027  0.6801  1.0
  Au  Au7  4  0.0000  0.1416  0.3151  1.0
  N  N8  4  0.0000  0.4723  0.4400  1.0
]