data_Al2CrBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   5.02
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrBr
_chemical_formula_sum   'Al2 Cr1 Br1'
_cell_volume   67.3
_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  0.73  0.51  0.47  1.0
  Al  Al1  1  0.19  0.51  0.1  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.46  0.0  0.29  1.0

data_Al2CrBr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.94
_cell_length_b   5.02
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Al2CrBr
_chemical_formula_sum   'Al2 Cr1 Br1'
_cell_volume   67.3
_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  0.19  0.5  0.1  1.0
  Al  Al1  1  0.73  0.5  0.47  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.46  0.0  0.29  1.0

Al Al Cr Br