data_MgPdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.77
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   99.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPdCl2
_chemical_formula_sum   'Mg1 Pd1 Cl2'
_cell_volume   77.97
_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
  Mg  Mg2  1  0.23  0.0  0.02  1.0
  Pd  Pd3  1  0.27  0.89  0.41  1.0
  Cl  Cl0  1  0.82  0.0  0.17  1.0
  Cl  Cl1  1  0.98  0.89  0.37  1.0

data_MgPdCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.89
_cell_length_c   5.39
_cell_angle_alpha   99.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPdCl2
_chemical_formula_sum   'Mg1 Pd1 Cl2'
_cell_volume   77.97
_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
  Mg  Mg0  1  0.0  0.77  0.98  1.0
  Pd  Pd1  1  0.11  0.73  0.59  1.0
  Cl  Cl2  1  0.0  0.18  0.83  1.0
  Cl  Cl3  1  0.11  0.02  0.63  1.0

Mg Pd Cl Cl
Mg Pd Cl Cl 0 3 - - o 0 2 - o o 0 2 o o o 0 1 o - o 1 3 - o o 2 3 o - o 