data_[Ba18Pt6Au3N3]
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 [R3]
_cell_length_a [7.7753]
_cell_length_b [7.7753]
_cell_length_c [21.8495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ba6Pt2AuN]
_chemical_formula_sum '[Ba18 Pt6 Au3 N3]'
_cell_volume [1143.9406]
_cell_formula_units_Z [3]
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  9  0.0071  0.3083  0.7438  1.0
  Ba  Ba1  9  0.0081  0.7162  0.5910  1.0
  Pt  Pt2  3  0.0000  0.0000  0.4861  1.0
  Pt  Pt3  3  0.0000  0.0000  0.9991  1.0
  Au  Au4  3  0.0000  0.0000  0.1736  1.0
  N  N5  3  0.0000  0.0000  0.6744  1.0
]