data_AlCrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   154.51
_cell_angle_beta   154.51
_cell_angle_gamma   36.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCrAu
_chemical_formula_sum   'Al1 Cr1 Au1'
_cell_volume   44.58
_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  0.12  1.0
  Cr  Cr2  1  0.0  0.0  0.8  1.0
  Au  Au1  1  0.0  0.0  0.9  1.0

data_AlCrAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   108.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCrAu
_chemical_formula_sum   'Al2 Cr2 Au2'
_cell_volume   89.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.88  1.0
  Cr  Cr1  2  0.0  0.0  0.2  1.0
  Au  Au2  2  0.0  0.0  0.1  1.0

Al Cr Au