data_[Au4N4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [11.4902]
_cell_length_b [6.1596]
_cell_length_c [5.9418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AuNCl]
_chemical_formula_sum '[Au4 N4 Cl4]'
_cell_volume [410.8637]
_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
[
  Au  Au0  4  0.3304  0.7498  0.3776  1.0
  N  N1  4  0.0124  0.5729  0.0552  1.0
  Cl  Cl2  4  0.3297  0.0418  0.1276  1.0
]