data_AlCr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.57
_cell_angle_alpha   109.38
_cell_angle_beta   109.38
_cell_angle_gamma   37.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr2Au
_chemical_formula_sum   'Al1 Cr2 Au1'
_cell_volume   56.87
_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  0.73  0.0  0.07  1.0
  Cr  Cr2  1  0.12  0.0  0.01  1.0
  Cr  Cr3  1  0.15  0.0  0.43  1.0
  Au  Au1  1  0.2  0.0  0.2  1.0

data_AlCr2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.57
_cell_length_c   4.69
_cell_angle_alpha   109.38
_cell_angle_beta   108.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr2Au
_chemical_formula_sum   'Al1 Cr2 Au1'
_cell_volume   56.87
_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  0.07  0.73  1.0
  Cr  Cr1  1  0.0  0.01  0.12  1.0
  Cr  Cr2  1  0.0  0.43  0.15  1.0
  Au  Au3  1  0.0  0.2  0.2  1.0

Al Cr Cr Au