data_GaNiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   3.92
_cell_length_c   4.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNiAu2
_chemical_formula_sum   'Ga1 Ni1 Au2'
_cell_volume   58.08
_cell_formula_units_Z   1
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  Ga2  1  0.0  0.96  0.08  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.78  0.0  0.08  1.0
  Au  Au1  1  0.78  0.96  0.0  1.0

data_GaNiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.92
_cell_length_c   4.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNiAu2
_chemical_formula_sum   'Ga1 Ni1 Au2'
_cell_volume   58.08
_cell_formula_units_Z   1
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  0.0  0.96  0.08  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.78  0.0  0.08  1.0
  Au  Au3  1  0.78  0.96  0.0  1.0

Ga Ni Au Au
Ga Ni Au Au 0 1 o + o 2 3 o - o 