data_Al2CdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   5.14
_cell_angle_alpha   112.53
_cell_angle_beta   112.53
_cell_angle_gamma   27.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CdBr
_chemical_formula_sum   'Al2 Cd1 Br1'
_cell_volume   94.26
_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  0.49  0.0  0.39  1.0
  Al  Al1  1  0.26  0.0  0.56  1.0
  Cd  Cd3  1  0.69  0.0  0.81  1.0
  Br  Br2  1  0.35  0.0  0.32  1.0

data_Al2CdBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.14
_cell_length_c   6.56
_cell_angle_alpha   112.53
_cell_angle_beta   103.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CdBr
_chemical_formula_sum   'Al2 Cd1 Br1'
_cell_volume   94.26
_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  0.39  0.49  1.0
  Al  Al1  1  0.0  0.56  0.26  1.0
  Cd  Cd2  1  0.0  0.81  0.69  1.0
  Br  Br3  1  0.0  0.32  0.35  1.0

Al Al Cd Br