data_[Ga16Ni6Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.0016]
_cell_length_b [13.2274]
_cell_length_c [4.0297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ga8Ni3Au2]
_chemical_formula_sum '[Ga16 Ni6 Au4]'
_cell_volume [426.5084]
_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
[
  Ga  Ga0  8  0.2470  0.3878  0.5000  1
  Ga  Ga1  4  0.0000  0.1236  0.0000  1
  Ga  Ga2  4  0.0000  0.3954  0.0000  1
  Ni  Ni3  4  0.2368  0.0000  0.0000  1
  Ni  Ni4  2  0.0000  0.0000  0.5000  1
  Au  Au5  4  0.0000  0.2569  0.5000  1
]