data_Mg2PdCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   8.29
_cell_angle_alpha   109.88
_cell_angle_beta   109.88
_cell_angle_gamma   51.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2PdCl
_chemical_formula_sum   'Mg2 Pd1 Cl1'
_cell_volume   80.46
_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  Mg1  1  0.06  0.0  0.11  1.0
  Mg  Mg2  1  0.43  0.0  0.56  1.0
  Pd  Pd3  1  0.44  0.0  0.84  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Mg2PdCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.67
_cell_length_c   7.84
_cell_angle_alpha   83.78
_cell_angle_beta   78.33
_cell_angle_gamma   64.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2PdCl
_chemical_formula_sum   'Mg2 Pd1 Cl1'
_cell_volume   80.46
_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  0.87  0.56  1.0
  Mg  Mg1  1  0.0  0.94  0.11  1.0
  Pd  Pd2  1  0.0  0.6  0.84  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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