data_Hg3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   14.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg3Pd
_chemical_formula_sum   'Hg18 Pd6'
_cell_volume   499.97
_cell_formula_units_Z   6
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  0.63  0.67  0.93  1.0
  Hg  Hg1  1  0.52  0.78  0.64  1.0
  Hg  Hg2  1  0.0  0.8  0.31  1.0
  Hg  Hg3  1  0.0  0.8  0.55  1.0
  Hg  Hg4  1  0.41  0.55  0.31  1.0
  Hg  Hg5  1  0.41  0.55  0.55  1.0
  Hg  Hg6  1  0.56  0.9  0.26  1.0
  Hg  Hg7  1  0.56  0.9  0.03  1.0
  Hg  Hg8  1  0.15  0.1  0.93  1.0
  Hg  Hg9  1  0.0  0.35  0.64  1.0
  Hg  Hg10  1  0.66  0.67  0.93  1.0
  Hg  Hg11  1  0.48  0.78  0.64  1.0
  Hg  Hg12  1  0.59  0.55  0.31  1.0
  Hg  Hg13  1  0.59  0.55  0.55  1.0
  Hg  Hg14  1  0.74  0.9  0.26  1.0
  Hg  Hg15  1  0.74  0.9  0.03  1.0
  Hg  Hg16  1  0.15  0.65  0.26  1.0
  Hg  Hg17  1  0.15  0.65  0.03  1.0
  Pd  Pd18  1  0.0  0.0  0.93  1.0
  Pd  Pd19  1  0.0  0.0  0.64  1.0
  Pd  Pd20  1  0.0  0.63  0.98  1.0
  Pd  Pd21  1  0.0  0.63  0.31  1.0
  Pd  Pd22  1  0.15  0.82  0.59  1.0
  Pd  Pd23  1  0.15  0.82  0.27  1.0

data_Hg3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   14.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg3Pd
_chemical_formula_sum   'Hg18 Pd6'
_cell_volume   499.97
_cell_formula_units_Z   6
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  0.35  0.64  1.0
  Hg  Hg1  1  -0.0  0.8  0.31  1.0
  Hg  Hg2  1  -0.0  0.8  0.55  1.0
  Hg  Hg3  1  0.15  0.1  0.93  1.0
  Hg  Hg4  1  0.15  0.65  0.03  1.0
  Hg  Hg5  1  0.15  0.65  0.26  1.0
  Hg  Hg6  1  0.41  0.55  0.31  1.0
  Hg  Hg7  1  0.41  0.55  0.55  1.0
  Hg  Hg8  1  0.48  0.78  0.64  1.0
  Hg  Hg9  1  0.52  0.78  0.64  1.0
  Hg  Hg10  1  0.56  0.9  0.03  1.0
  Hg  Hg11  1  0.56  0.9  0.26  1.0
  Hg  Hg12  1  0.59  0.55  0.31  1.0
  Hg  Hg13  1  0.59  0.55  0.55  1.0
  Hg  Hg14  1  0.63  0.67  0.93  1.0
  Hg  Hg15  1  0.66  0.67  0.93  1.0
  Hg  Hg16  1  0.74  0.9  0.03  1.0
  Hg  Hg17  1  0.74  0.9  0.26  1.0
  Pd  Pd18  1  -0.0  0.63  0.31  1.0
  Pd  Pd19  1  -0.0  0.63  0.98  1.0
  Pd  Pd20  1  0.0  0.0  0.64  1.0
  Pd  Pd21  1  0.0  0.0  0.93  1.0
  Pd  Pd22  1  0.15  0.82  0.27  1.0
  Pd  Pd23  1  0.15  0.82  0.59  1.0

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