data_Al2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.02
_cell_length_c   2.36
_cell_angle_alpha   84.87
_cell_angle_beta   73.1
_cell_angle_gamma   22.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Cr
_chemical_formula_sum   'Al2 Cr1'
_cell_volume   27.69
_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  0.13  0.07  0.98  1.0
  Al  Al1  1  0.13  0.07  0.85  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0

data_Al2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.25
_cell_length_b   2.36
_cell_length_c   6.02
_cell_angle_alpha   84.87
_cell_angle_beta   79.21
_cell_angle_gamma   61.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Cr
_chemical_formula_sum   'Al2 Cr1'
_cell_volume   27.69
_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  0.93  0.02  0.2  1.0
  Al  Al1  1  0.93  0.89  0.2  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0

Al Al Cr