data_Al2InAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   3.4
_cell_angle_alpha   106.31
_cell_angle_beta   106.31
_cell_angle_gamma   121.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2InAu
_chemical_formula_sum   'Al2 In1 Au1'
_cell_volume   80.29
_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  0.42  0.55  0.0  1.0
  Al  Al1  1  0.42  0.45  0.0  1.0
  In  In3  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.84  0.0  0.0  1.0

data_Al2InAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.64
_cell_length_c   5.84
_cell_angle_alpha   112.93
_cell_angle_beta   106.31
_cell_angle_gamma   91.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2InAu
_chemical_formula_sum   'Al2 In1 Au1'
_cell_volume   80.29
_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  0.45  0.45  0.87  1.0
  Al  Al1  1  0.55  0.55  0.97  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.0  0.84  1.0

Al Al In Au