data_AlCr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   4.01
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   99.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr2Au
_chemical_formula_sum   'Al1 Cr2 Au1'
_cell_volume   56.36
_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  0.84  0.0  0.47  1.0
  Cr  Cr2  1  0.5  0.0  0.2  1.0
  Cr  Cr3  1  0.88  0.01  0.23  1.0
  Au  Au1  1  0.2  0.01  0.89  1.0

data_AlCr2Au
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.7
_cell_length_b   4.01
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   99.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   AlCr2Au
_chemical_formula_sum   'Al1 Cr2 Au1'
_cell_volume   56.36
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.84  0.0  0.47  1.0
  Cr  Cr1  1  0.5  0.0  0.2  1.0
  Cr  Cr2  1  0.88  0.0  0.23  1.0
  Au  Au3  1  0.2  0.0  0.89  1.0

Al Cr Cr Au