data_Hg2PdCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PdCl
_chemical_formula_sum   'Hg2 Pd1 Cl1'
_cell_volume   84.23
_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
  Hg  Hg1  1  0.63  0.63  0.19  1.0
  Hg  Hg2  1  0.63  0.63  0.75  1.0
  Pd  Pd3  1  0.0  0.0  0.97  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Hg2PdCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hg2PdCl
_chemical_formula_sum   'Hg4 Pd2 Cl2'
_cell_volume   168.46
_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
  Hg  Hg0  2  0.13  0.5  0.19  1.0
  Hg  Hg1  2  0.13  0.5  0.75  1.0
  Pd  Pd2  2  0.0  0.0  0.97  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Hg Hg Pd Cl
Hg Hg Pd Cl 0 3 o + o 0 3 + o o 0 3 + + o 0 2 o + - 0 2 + o - 0 2 + + - 1 3 o + + 1 3 + o + 1 3 + + + 1 2 o + o 1 2 + o o 1 2 + + o 1 1 + o o 1 1 o + o 2 3 o o + 