data_Ga2NiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.95
_cell_angle_alpha   100.39
_cell_angle_beta   100.39
_cell_angle_gamma   39.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2NiAu
_chemical_formula_sum   'Ga2 Ni1 Au1'
_cell_volume   60.77
_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  Ga1  1  1.0  0.0  0.07  1.0
  Ga  Ga2  1  0.45  0.0  0.78  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.73  0.0  0.43  1.0

data_Ga2NiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.46
_cell_length_c   4.95
_cell_angle_alpha   100.39
_cell_angle_beta   90.0
_cell_angle_gamma   109.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2NiAu
_chemical_formula_sum   'Ga2 Ni1 Au1'
_cell_volume   60.77
_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  0.0  0.93  1.0
  Ga  Ga1  1  0.0  0.55  0.22  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.27  0.57  1.0

Ga Ga Ni Au