data_GaNiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.51
_cell_length_c   2.93
_cell_angle_alpha   74.97
_cell_angle_beta   74.27
_cell_angle_gamma   30.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNiAu
_chemical_formula_sum   'Ga1 Ni1 Au1'
_cell_volume   43.78
_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  0.04  0.09  0.03  1.0
  Ni  Ni2  1  0.04  0.09  0.23  1.0
  Au  Au0  1  0.04  0.09  0.2  1.0

data_GaNiAu
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.93
_cell_length_b   10.23
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   GaNiAu
_chemical_formula_sum   'Ga2 Ni2 Au2'
_cell_volume   87.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.0  0.93  1.0
  Ni  Ni1  2  0.0  0.0  0.72  1.0
  Au  Au2  2  0.0  0.0  0.76  1.0

Ga Ni Au
Ga Ni Au 0 2 o o o 1 2 o o o 