data_Hg5Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.31
_cell_length_b   8.31
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg5Pd4
_chemical_formula_sum   'Hg10 Pd8'
_cell_volume   346.18
_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  0.37  0.0  0.34  1.0
  Hg  Hg1  1  0.81  0.06  0.34  1.0
  Hg  Hg2  1  0.97  0.14  0.34  1.0
  Hg  Hg3  1  0.93  0.0  0.45  1.0
  Hg  Hg4  1  0.03  0.14  0.45  1.0
  Hg  Hg5  1  0.19  0.06  0.45  1.0
  Hg  Hg6  1  0.0  0.8  0.89  1.0
  Hg  Hg7  1  0.15  0.4  0.0  1.0
  Hg  Hg8  1  0.15  0.4  0.89  1.0
  Hg  Hg9  1  0.0  0.8  0.0  1.0
  Pd  Pd10  1  0.0  0.0  0.89  1.0
  Pd  Pd11  1  0.0  0.0  0.0  1.0
  Pd  Pd12  1  0.15  0.0  0.34  1.0
  Pd  Pd13  1  0.42  0.46  0.34  1.0
  Pd  Pd14  1  0.58  0.73  0.34  1.0
  Pd  Pd15  1  0.16  0.0  0.45  1.0
  Pd  Pd16  1  0.42  0.73  0.45  1.0
  Pd  Pd17  1  0.58  0.46  0.45  1.0

data_Hg5Pd4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.79
_cell_length_b   8.31
_cell_length_c   8.31
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg5Pd4
_chemical_formula_sum   'Hg10 Pd8'
_cell_volume   346.18
_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  0.8  1.0
  Hg  Hg1  1  0.0  0.15  0.4  1.0
  Hg  Hg2  1  0.34  0.37  0.0  1.0
  Hg  Hg3  1  0.34  0.81  0.06  1.0
  Hg  Hg4  1  0.34  0.97  0.14  1.0
  Hg  Hg5  1  0.45  0.03  0.14  1.0
  Hg  Hg6  1  0.45  0.19  0.06  1.0
  Hg  Hg7  1  0.45  0.93  0.0  1.0
  Hg  Hg8  1  0.89  0.0  0.8  1.0
  Hg  Hg9  1  0.89  0.15  0.4  1.0
  Pd  Pd10  1  0.0  0.0  0.0  1.0
  Pd  Pd11  1  0.34  0.15  0.0  1.0
  Pd  Pd12  1  0.34  0.42  0.46  1.0
  Pd  Pd13  1  0.34  0.58  0.73  1.0
  Pd  Pd14  1  0.45  0.16  0.0  1.0
  Pd  Pd15  1  0.45  0.42  0.73  1.0
  Pd  Pd16  1  0.45  0.58  0.46  1.0
  Pd  Pd17  1  0.89  0.0  0.0  1.0

Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Pd Pd Pd Pd Pd Pd Pd Pd