data_[Zr4Si1Au1N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.2879]
_cell_length_b [3.2879]
_cell_length_c [13.7721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Zr4SiAuN2]
_chemical_formula_sum '[Zr4 Si1 Au1 N2]'
_cell_volume [128.9336]
_cell_formula_units_Z [1]
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
[
  Zr  Zr0  2  0.3333  0.6667  0.1507  1
  Zr  Zr1  2  0.6667  0.3333  0.3354  1
  Si  Si2  1  0.6667  0.3333  0.0000  1
  Au  Au3  1  0.3333  0.6667  0.5000  1
  N  N4  2  0.0000  0.0000  0.2453  1
]