data_AlPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   12.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPd2
_chemical_formula_sum   'Al2 Pd4'
_cell_volume   95.09
_cell_formula_units_Z   2
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  0.72  0.1  1.0
  Al  Al1  1  0.49  0.86  0.3  1.0
  Pd  Pd2  1  0.0  0.0  0.32  1.0
  Pd  Pd3  1  0.0  0.0  0.52  1.0
  Pd  Pd4  1  0.0  0.0  0.08  1.0
  Pd  Pd5  1  0.0  0.0  0.88  1.0

data_AlPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   12.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPd2
_chemical_formula_sum   'Al2 Pd4'
_cell_volume   95.09
_cell_formula_units_Z   2
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  0.72  0.1  1.0
  Al  Al1  1  0.49  0.86  0.3  1.0
  Pd  Pd2  1  0.0  0.0  0.08  1.0
  Pd  Pd3  1  0.0  0.0  0.32  1.0
  Pd  Pd4  1  0.0  0.0  0.52  1.0
  Pd  Pd5  1  0.0  0.0  0.88  1.0

Al Al Pd Pd Pd Pd
Al Al Pd Pd Pd Pd 0 4 o + o 0 5 o + - 1 2 + + o 1 3 + + o 1 3 o + o 2 3 o o o 3 3 + + o 3 3 o + o 3 3 + o o 4 5 o o - 5 5 + + o 5 5 o + o 5 5 + o o 