data_[Ni2Au2S8]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8854]
_cell_length_b [6.9206]
_cell_length_c [7.2989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NiAuS4]
_chemical_formula_sum '[Ni2 Au2 S8]'
_cell_volume [246.2233]
_cell_formula_units_Z [2]
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  0.0555  0.7500  0.6599  1
  Au  Au1  2  0.5000  0.0000  0.0000  1
  S  S2  4  0.3201  0.0078  0.6828  1
  S  S3  2  0.0581  0.2500  0.6416  1
  S  S4  2  0.1995  0.2500  0.1029  1
]