data_MgPdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96
_cell_length_b   7.96
_cell_length_c   7.96
_cell_angle_alpha   25.23
_cell_angle_beta   25.23
_cell_angle_gamma   25.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPdCl2
_chemical_formula_sum   'Mg1 Pd1 Cl2'
_cell_volume   80.74
_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  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.56  1.0
  Cl  Cl0  1  0.0  0.0  0.24  1.0
  Cl  Cl1  1  0.0  0.0  0.88  1.0

data_MgPdCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.02
_cell_length_b   3.48
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   104.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgPdCl2
_chemical_formula_sum   'Mg2 Pd2 Cl4'
_cell_volume   161.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Pd  Pd1  2  -0.0  0.0  0.44  1.0
  Cl  Cl2  2  -0.0  0.0  0.12  1.0
  Cl  Cl3  2  0.0  0.0  0.76  1.0

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