data_[Ga2Ni2Au2]
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 [Pm]
_cell_length_a [3.9834]
_cell_length_b [2.8138]
_cell_length_c [8.2325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7149]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [GaNiAu]
_chemical_formula_sum '[Ga2 Ni2 Au2]'
_cell_volume [91.8158]
_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  1  0.1913  0.5000  0.2814  1
  Ga  Ga1  1  0.7541  0.5000  0.6032  1
  Ni  Ni2  1  0.2523  0.0000  0.5414  1
  Ni  Ni3  1  0.7057  0.0000  0.3418  1
  Au  Au4  1  0.1022  0.0000  0.8498  1
  Au  Au5  1  0.6401  0.5000  0.0541  1
]