data_GaWAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   126.92
_cell_angle_beta   126.92
_cell_angle_gamma   78.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaWAu2
_chemical_formula_sum   'Ga1 W1 Au2'
_cell_volume   68.35
_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  0.0  0.0  1.0
  W  W3  1  0.14  0.0  0.86  1.0
  Au  Au0  1  0.0  0.0  0.72  1.0
  Au  Au1  1  0.0  0.14  0.86  1.0

data_GaWAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.8
_cell_angle_alpha   116.54
_cell_angle_beta   116.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaWAu2
_chemical_formula_sum   'Ga1 W1 Au2'
_cell_volume   68.35
_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  0.0  1.0
  W  W1  1  0.14  0.0  0.28  1.0
  Au  Au2  1  0.28  0.0  0.28  1.0
  Au  Au3  1  0.28  0.14  0.28  1.0

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