data_AlNiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   133.35
_cell_angle_beta   133.35
_cell_angle_gamma   68.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNiAu2
_chemical_formula_sum   'Al1 Ni1 Au2'
_cell_volume   60.92
_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  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.94  0.03  1.0
  Au  Au1  1  0.94  0.0  0.03  1.0
  Au  Au2  1  0.0  0.0  0.06  1.0

data_AlNiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   4.89
_cell_angle_alpha   113.33
_cell_angle_beta   113.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNiAu2
_chemical_formula_sum   'Al1 Ni1 Au2'
_cell_volume   60.92
_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  0.0  0.0  1.0
  Ni  Ni1  1  0.09  0.03  0.09  1.0
  Au  Au2  1  0.03  0.09  0.09  1.0
  Au  Au3  1  0.06  0.06  0.06  1.0

Al Ni Au Au