data_HgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   108.01
_cell_angle_beta   108.01
_cell_angle_gamma   112.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPd2
_chemical_formula_sum   'Hg2 Pd4'
_cell_volume   112.52
_cell_formula_units_Z   2
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  0.47  1.0
  Hg  Hg1  1  0.0  0.0  0.4  1.0
  Pd  Pd2  1  0.16  0.94  0.0  1.0
  Pd  Pd3  1  0.16  0.06  0.93  1.0
  Pd  Pd4  1  0.94  0.04  0.0  1.0
  Pd  Pd5  1  0.94  0.16  0.93  1.0

data_HgPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   108.01
_cell_angle_beta   108.01
_cell_angle_gamma   112.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPd2
_chemical_formula_sum   'Hg2 Pd4'
_cell_volume   112.52
_cell_formula_units_Z   2
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  0.4  1.0
  Hg  Hg1  1  0.0  0.0  0.47  1.0
  Pd  Pd2  1  0.16  0.06  0.93  1.0
  Pd  Pd3  1  0.16  0.94  0.0  1.0
  Pd  Pd4  1  0.94  0.04  -0.0  1.0
  Pd  Pd5  1  0.94  0.16  0.93  1.0

Hg Hg Pd Pd Pd Pd