data_Al5Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   11.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Cr
_chemical_formula_sum   'Al5 Cr1'
_cell_volume   93.93
_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  0.17  1.0
  Al  Al1  1  0.0  0.0  0.58  1.0
  Al  Al2  1  0.41  0.41  0.07  1.0
  Al  Al3  1  0.41  0.41  0.68  1.0
  Al  Al4  1  0.0  0.0  0.0  1.0
  Cr  Cr5  1  0.41  0.41  0.88  1.0

data_Al5Cr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   11.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al5Cr
_chemical_formula_sum   'Al10 Cr2'
_cell_volume   187.87
_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  0.0  1.0
  Al  Al1  2  0.0  0.0  0.17  1.0
  Al  Al2  2  0.0  0.0  0.58  1.0
  Al  Al3  2  0.41  0.0  0.07  1.0
  Al  Al4  2  0.41  0.0  0.68  1.0
  Cr  Cr5  2  0.41  0.0  0.88  1.0

Al Al Al Al Al Cr