data_[Gd4Ni2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5384]
_cell_length_b [4.5287]
_cell_length_c [7.2415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6197]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Gd2NiAu]
_chemical_formula_sum '[Gd4 Ni2 Au2]'
_cell_volume [181.5588]
_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
[
  Gd  Gd0  2  0.1451  0.2500  0.1688  1
  Gd  Gd1  2  0.3584  0.2500  0.7062  1
  Ni  Ni2  2  0.3666  0.7500  0.9639  1
  Au  Au3  2  0.1574  0.7500  0.4562  1
]