data_GaNiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNiAu
_chemical_formula_sum   'Ga1 Ni1 Au1'
_cell_volume   45.11
_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  0.0  0.67  0.24  1.0
  Ni  Ni2  1  0.0  0.0  0.03  1.0
  Au  Au0  1  0.45  0.84  0.16  1.0

data_GaNiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNiAu
_chemical_formula_sum   'Ga1 Ni1 Au1'
_cell_volume   45.11
_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  0.67  0.24  1.0
  Ni  Ni1  1  0.0  0.0  0.03  1.0
  Au  Au2  1  0.45  0.84  0.16  1.0

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