data_Hg2PdCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   141.04
_cell_angle_beta   141.04
_cell_angle_gamma   56.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PdCl
_chemical_formula_sum   'Hg2 Pd1 Cl1'
_cell_volume   87.49
_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  0.02  0.0  0.67  1.0
  Hg  Hg2  1  0.0  0.02  0.67  1.0
  Pd  Pd3  1  0.0  0.0  0.35  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   5.72
_cell_length_b   5.72
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   118.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hg2PdCl
_chemical_formula_sum   'Hg4 Pd2 Cl2'
_cell_volume   174.98
_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  4  0.01  0.01  0.35  1.0
  Pd  Pd1  2  0.0  0.0  0.65  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

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