data_Hg2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   147.54
_cell_angle_beta   141.95
_cell_angle_gamma   50.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Pd
_chemical_formula_sum   'Hg2 Pd1'
_cell_volume   59.57
_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  0.53  1.0
  Hg  Hg1  1  0.0  0.0  0.69  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_Hg2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.69
_cell_length_c   5.66
_cell_angle_alpha   109.03
_cell_angle_beta   106.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Pd
_chemical_formula_sum   'Hg2 Pd1'
_cell_volume   59.57
_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  0.31  0.31  0.31  1.0
  Hg  Hg1  1  0.47  0.47  0.47  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

Hg Hg Pd