data_AlPd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   4.7
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   97.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPd2Cl
_chemical_formula_sum   'Al1 Pd2 Cl1'
_cell_volume   67.34
_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  0.18  0.0  0.15  1.0
  Pd  Pd2  1  0.69  0.0  0.1  1.0
  Pd  Pd3  1  0.01  0.35  0.15  1.0
  Cl  Cl1  1  0.03  0.35  0.51  1.0

data_AlPd2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.65
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPd2Cl
_chemical_formula_sum   'Al1 Pd2 Cl1'
_cell_volume   67.34
_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  0.82  0.85  0.0  1.0
  Pd  Pd1  1  0.31  0.9  0.0  1.0
  Pd  Pd2  1  0.99  0.85  0.65  1.0
  Cl  Cl3  1  0.97  0.49  0.65  1.0

Al Pd Pd Cl