data_AlWAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.12
_cell_angle_alpha   103.92
_cell_angle_beta   103.92
_cell_angle_gamma   32.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlWAu2
_chemical_formula_sum   'Al1 W1 Au2'
_cell_volume   67.21
_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
  Al  Al0  1  0.48  0.0  0.66  1.0
  W  W3  1  0.32  0.0  0.51  1.0
  Au  Au1  1  0.2  0.0  0.9  1.0
  Au  Au2  1  0.92  0.0  0.3  1.0

data_AlWAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   5.03
_cell_length_c   5.12
_cell_angle_alpha   103.92
_cell_angle_beta   90.0
_cell_angle_gamma   106.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlWAu2
_chemical_formula_sum   'Al1 W1 Au2'
_cell_volume   67.21
_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
  Al  Al0  1  0.0  0.52  0.34  1.0
  W  W1  1  0.0  0.68  0.49  1.0
  Au  Au2  1  0.0  0.08  0.7  1.0
  Au  Au3  1  0.0  0.8  0.1  1.0

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