data_[Au4C4N12Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
  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 [15.6061]
_cell_length_b [4.2058]
_cell_length_c [15.1178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AuCN3Cl4]
_chemical_formula_sum '[Au4 C4 N12 Cl16]'
_cell_volume [989.1560]
_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  2  0.0000  0.0000  0.0000  1
  Au  Au1  2  0.5000  0.0000  0.5000  1
  C  C2  4  0.2497  0.7332  0.2603  1
  N  N3  4  0.1830  0.5807  0.2157  1
  N  N4  4  0.2442  0.6765  0.8460  1
  N  N5  4  0.3220  0.7035  0.7192  1
  Cl  Cl6  4  0.0111  0.7107  0.3608  1
  Cl  Cl7  4  0.1448  0.1038  0.0132  1
  Cl  Cl8  4  0.3633  0.1539  0.5277  1
  Cl  Cl9  4  0.4760  0.2108  0.3598  1
]