data_Hg3Pd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.36
_cell_length_b   10.36
_cell_length_c   10.36
_cell_angle_alpha   162.81
_cell_angle_beta   162.81
_cell_angle_gamma   24.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg3Pd2
_chemical_formula_sum   'Hg3 Pd2'
_cell_volume   96.99
_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  Hg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.81  1.0
  Hg  Hg2  1  0.0  0.0  0.44  1.0
  Pd  Pd3  1  0.0  0.0  0.24  1.0
  Pd  Pd4  1  0.0  0.0  0.01  1.0

data_Hg3Pd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   10.36
_cell_angle_alpha   90.0
_cell_angle_beta   102.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hg3Pd2
_chemical_formula_sum   'Hg6 Pd4'
_cell_volume   193.97
_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  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.31  0.5  0.81  1.0
  Hg  Hg2  2  0.44  0.0  0.44  1.0
  Pd  Pd3  2  0.01  0.0  0.01  1.0
  Pd  Pd4  2  0.24  0.0  0.24  1.0

Hg Hg Hg Pd Pd