data_AlPdCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPdCl
_chemical_formula_sum   'Al1 Pd1 Cl1'
_cell_volume   54.53
_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  0.0  0.8  1.0
  Pd  Pd2  1  0.64  0.95  0.26  1.0
  Cl  Cl1  1  0.0  0.89  0.68  1.0

data_AlPdCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPdCl
_chemical_formula_sum   'Al1 Pd1 Cl1'
_cell_volume   54.53
_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  0.0  0.8  1.0
  Pd  Pd1  1  0.64  0.95  0.26  1.0
  Cl  Cl2  1  -0.0  0.89  0.68  1.0

Al Pd Cl
Al Pd Cl 0 2 o - o 0 1 o - + 0 1 - - + 0 1 - - o 1 2 o o o 1 2 + + o 1 2 + o - 1 2 + o o 1 1 + + o 1 1 o + o 1 1 + o o 