data_Ni6HgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   10.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni6HgPd
_chemical_formula_sum   'Ni24 Hg4 Pd4'
_cell_volume   403.07
_cell_formula_units_Z   4
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
  Ni  Ni4  1  0.69  0.65  0.56  1.0
  Ni  Ni5  1  0.58  0.71  0.88  1.0
  Ni  Ni6  1  0.8  0.29  0.88  1.0
  Ni  Ni7  1  0.69  0.35  0.56  1.0
  Ni  Ni8  1  0.8  0.71  0.88  1.0
  Ni  Ni9  1  0.58  0.29  0.88  1.0
  Ni  Ni10  1  0.69  0.0  0.0  1.0
  Ni  Ni11  1  0.81  0.33  0.28  1.0
  Ni  Ni12  1  0.81  0.67  0.28  1.0
  Ni  Ni13  1  0.69  0.65  0.89  1.0
  Ni  Ni14  1  0.57  0.67  0.18  1.0
  Ni  Ni15  1  0.81  0.33  0.18  1.0
  Ni  Ni16  1  0.69  0.35  0.89  1.0
  Ni  Ni17  1  0.81  0.67  0.18  1.0
  Ni  Ni18  1  0.57  0.33  0.18  1.0
  Ni  Ni19  1  0.69  0.0  0.23  1.0
  Ni  Ni20  1  0.8  0.29  0.57  1.0
  Ni  Ni21  1  0.8  0.71  0.57  1.0
  Ni  Ni22  1  0.0  0.0  0.0  1.0
  Ni  Ni23  1  0.57  0.33  0.28  1.0
  Ni  Ni24  1  0.57  0.67  0.28  1.0
  Ni  Ni25  1  0.0  0.0  0.23  1.0
  Ni  Ni26  1  0.58  0.29  0.57  1.0
  Ni  Ni27  1  0.58  0.71  0.57  1.0
  Hg  Hg0  1  0.69  0.58  0.23  1.0
  Hg  Hg1  1  0.69  0.42  0.23  1.0
  Hg  Hg2  1  0.69  0.0  0.59  1.0
  Hg  Hg3  1  0.69  0.0  0.87  1.0
  Pd  Pd28  1  0.69  0.58  0.0  1.0
  Pd  Pd29  1  0.69  0.42  0.0  1.0
  Pd  Pd30  1  0.0  0.0  0.58  1.0
  Pd  Pd31  1  0.0  0.0  0.87  1.0

data_Ni6HgPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   10.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni6HgPd
_chemical_formula_sum   'Ni24 Hg4 Pd4'
_cell_volume   403.07
_cell_formula_units_Z   4
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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.23  1.0
  Ni  Ni2  1  0.57  0.33  0.18  1.0
  Ni  Ni3  1  0.57  0.33  0.28  1.0
  Ni  Ni4  1  0.57  0.67  0.18  1.0
  Ni  Ni5  1  0.57  0.67  0.28  1.0
  Ni  Ni6  1  0.58  0.29  0.57  1.0
  Ni  Ni7  1  0.58  0.29  0.88  1.0
  Ni  Ni8  1  0.58  0.71  0.57  1.0
  Ni  Ni9  1  0.58  0.71  0.88  1.0
  Ni  Ni10  1  0.69  0.0  -0.0  1.0
  Ni  Ni11  1  0.69  0.0  0.23  1.0
  Ni  Ni12  1  0.69  0.35  0.56  1.0
  Ni  Ni13  1  0.69  0.35  0.89  1.0
  Ni  Ni14  1  0.69  0.65  0.56  1.0
  Ni  Ni15  1  0.69  0.65  0.89  1.0
  Ni  Ni16  1  0.8  0.29  0.57  1.0
  Ni  Ni17  1  0.8  0.29  0.88  1.0
  Ni  Ni18  1  0.8  0.71  0.57  1.0
  Ni  Ni19  1  0.8  0.71  0.88  1.0
  Ni  Ni20  1  0.81  0.33  0.18  1.0
  Ni  Ni21  1  0.81  0.33  0.28  1.0
  Ni  Ni22  1  0.81  0.67  0.18  1.0
  Ni  Ni23  1  0.81  0.67  0.28  1.0
  Hg  Hg24  1  0.69  0.0  0.59  1.0
  Hg  Hg25  1  0.69  0.0  0.87  1.0
  Hg  Hg26  1  0.69  0.42  0.23  1.0
  Hg  Hg27  1  0.69  0.58  0.23  1.0
  Pd  Pd28  1  0.0  0.0  0.58  1.0
  Pd  Pd29  1  0.0  0.0  0.87  1.0
  Pd  Pd30  1  0.69  0.42  -0.0  1.0
  Pd  Pd31  1  0.69  0.58  -0.0  1.0

Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Hg Hg Hg Hg Pd Pd Pd Pd