data_AlNi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.48
_cell_angle_alpha   103.08
_cell_angle_beta   103.08
_cell_angle_gamma   36.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2Au
_chemical_formula_sum   'Al1 Ni2 Au1'
_cell_volume   53.61
_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  0.77  0.0  0.06  1.0
  Ni  Ni2  1  0.04  0.0  0.09  1.0
  Ni  Ni3  1  0.28  0.0  0.09  1.0
  Au  Au1  1  0.36  0.0  0.28  1.0

data_AlNi2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.48
_cell_length_c   4.57
_cell_angle_alpha   103.08
_cell_angle_beta   108.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2Au
_chemical_formula_sum   'Al1 Ni2 Au1'
_cell_volume   53.61
_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  0.06  0.77  1.0
  Ni  Ni1  1  0.0  0.09  0.28  1.0
  Ni  Ni2  1  0.0  0.09  0.04  1.0
  Au  Au3  1  0.0  0.28  0.36  1.0

Al Ni Ni Au