data_Al3Cr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   4.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cr5
_chemical_formula_sum   'Al3 Cr5'
_cell_volume   108.32
_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  0.0  1.0
  Al  Al1  1  0.01  0.11  0.11  1.0
  Al  Al2  1  0.01  0.89  0.11  1.0
  Cr  Cr3  1  0.01  0.0  0.0  1.0
  Cr  Cr4  1  0.5  0.87  0.0  1.0
  Cr  Cr5  1  0.5  0.13  0.0  1.0
  Cr  Cr6  1  0.49  0.0  0.11  1.0
  Cr  Cr7  1  0.53  0.0  0.11  1.0

data_Al3Cr5
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.21
_cell_length_b   4.23
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   109.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Al3Cr5
_chemical_formula_sum   'Al3 Cr5'
_cell_volume   108.32
_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  2  0.01  0.89  0.11  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  2  0.49  0.89  0.0  1.0
  Cr  Cr3  2  0.5  -0.0  0.13  1.0
  Cr  Cr4  1  0.0  0.0  0.0  1.0

Al Al Al Cr Cr Cr Cr Cr