data_AlBPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.76
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   106.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBPd2
_chemical_formula_sum   'Al1 B1 Pd2'
_cell_volume   54.02
_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  0.88  0.28  1.0
  B  B1  1  0.85  0.0  0.43  1.0
  Pd  Pd2  1  0.39  0.88  0.24  1.0
  Pd  Pd3  1  0.17  0.0  0.23  1.0

data_AlBPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.76
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   106.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBPd2
_chemical_formula_sum   'Al1 B1 Pd2'
_cell_volume   54.02
_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  0.88  0.28  1.0
  B  B1  1  0.85  0.0  0.43  1.0
  Pd  Pd2  1  0.17  0.0  0.23  1.0
  Pd  Pd3  1  0.39  0.88  0.24  1.0

Al B Pd Pd
Al B Pd Pd 0 1 o + o 2 3 o + o 