data_[Ni2Au4Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0620]
_cell_length_b [3.0231]
_cell_length_c [6.3368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NiAu2Cl]
_chemical_formula_sum '[Ni2 Au4 Cl2]'
_cell_volume [171.5077]
_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  0.2093  0.0000  0.8142  1
  Au  Au1  2  0.1983  0.5000  0.1619  1
  Au  Au2  2  0.4485  0.5000  0.9680  1
  Cl  Cl3  2  0.1440  0.5000  0.5560  1
]