data_[Ni4Au4S4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.2863]
_cell_length_b [5.2681]
_cell_length_c [10.2204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [NiAuSO]
_chemical_formula_sum '[Ni4 Au4 S4 O4]'
_cell_volume [284.2073]
_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
[
  Ni  Ni0  2  0.0058  0.1950  0.9527  1
  Ni  Ni1  2  0.4804  0.7208  0.9409  1
  Au  Au2  2  0.0269  0.1301  0.3401  1
  Au  Au3  2  0.3445  0.8769  0.5242  1
  S  S4  2  0.2653  0.9224  0.7492  1
  S  S5  2  0.3439  0.8412  0.2984  1
  O  O6  2  0.2499  0.4560  0.9991  1
  O  O7  2  0.2518  0.9575  0.0314  1
]