data_Ga2WAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   149.25
_cell_angle_beta   123.35
_cell_angle_gamma   65.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2WAu
_chemical_formula_sum   'Ga2 W1 Au1'
_cell_volume   66.57
_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  0.43  0.0  0.27  1.0
  Ga  Ga2  1  0.0  0.56  0.26  1.0
  W  W3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.53  1.0

data_Ga2WAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   5.13
_cell_length_c   5.4
_cell_angle_alpha   118.32
_cell_angle_beta   105.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2WAu
_chemical_formula_sum   'Ga2 W1 Au1'
_cell_volume   66.57
_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  0.27  0.84  1.0
  Ga  Ga1  1  0.44  0.7  0.7  1.0
  W  W2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.53  0.53  1.0

Ga Ga W Au
Ga Ga W Au 0 2 o o o 1 3 o + o 1 2 o o o 1 2 o + + 