data_Al2PdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   3.92
_cell_angle_alpha   92.71
_cell_angle_beta   92.71
_cell_angle_gamma   26.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2PdBr
_chemical_formula_sum   'Al2 Pd1 Br1'
_cell_volume   87.26
_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  0.48  0.0  0.42  1.0
  Al  Al1  1  0.33  0.0  0.21  1.0
  Pd  Pd3  1  0.78  0.0  0.21  1.0
  Br  Br2  1  0.24  0.0  0.95  1.0

data_Al2PdBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.92
_cell_length_c   7.05
_cell_angle_alpha   92.71
_cell_angle_beta   103.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2PdBr
_chemical_formula_sum   'Al2 Pd1 Br1'
_cell_volume   87.26
_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  0.21  0.33  1.0
  Al  Al1  1  0.0  0.42  0.48  1.0
  Pd  Pd2  1  0.0  0.21  0.78  1.0
  Br  Br3  1  0.0  0.95  0.24  1.0

Al Al Pd Br