data_Ni6HgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   10.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni6HgMo
_chemical_formula_sum   'Ni24 Hg4 Mo4'
_cell_volume   402.18
_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  Ni8  1  0.68  0.33  0.97  1.0
  Ni  Ni9  1  0.79  0.67  0.23  1.0
  Ni  Ni10  1  0.57  0.33  0.23  1.0
  Ni  Ni11  1  0.68  0.67  0.97  1.0
  Ni  Ni12  1  0.57  0.67  0.23  1.0
  Ni  Ni13  1  0.79  0.33  0.23  1.0
  Ni  Ni14  1  0.0  0.0  0.24  1.0
  Ni  Ni15  1  0.61  0.27  0.62  1.0
  Ni  Ni16  1  0.61  0.73  0.62  1.0
  Ni  Ni17  1  0.68  0.33  0.51  1.0
  Ni  Ni18  1  0.76  0.73  0.86  1.0
  Ni  Ni19  1  0.61  0.27  0.86  1.0
  Ni  Ni20  1  0.68  0.67  0.51  1.0
  Ni  Ni21  1  0.61  0.73  0.86  1.0
  Ni  Ni22  1  0.76  0.27  0.86  1.0
  Ni  Ni23  1  0.0  0.0  0.0  1.0
  Ni  Ni24  1  0.57  0.33  0.25  1.0
  Ni  Ni25  1  0.57  0.67  0.25  1.0
  Ni  Ni26  1  0.68  0.0  0.24  1.0
  Ni  Ni27  1  0.76  0.27  0.62  1.0
  Ni  Ni28  1  0.76  0.73  0.62  1.0
  Ni  Ni29  1  0.68  0.0  0.0  1.0
  Ni  Ni30  1  0.79  0.33  0.25  1.0
  Ni  Ni31  1  0.79  0.67  0.25  1.0
  Hg  Hg0  1  0.68  0.45  0.24  1.0
  Hg  Hg1  1  0.68  0.55  0.24  1.0
  Hg  Hg2  1  0.68  0.0  0.87  1.0
  Hg  Hg3  1  0.68  0.0  0.61  1.0
  Mo  Mo4  1  0.68  0.36  0.0  1.0
  Mo  Mo5  1  0.68  0.64  0.0  1.0
  Mo  Mo6  1  0.0  0.0  0.82  1.0
  Mo  Mo7  1  0.0  0.0  0.66  1.0

data_Ni6HgMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   10.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni6HgMo
_chemical_formula_sum   'Ni24 Hg4 Mo4'
_cell_volume   402.18
_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  0.24  1.0
  Ni  Ni2  1  0.57  0.33  0.23  1.0
  Ni  Ni3  1  0.57  0.33  0.25  1.0
  Ni  Ni4  1  0.57  0.67  0.23  1.0
  Ni  Ni5  1  0.57  0.67  0.25  1.0
  Ni  Ni6  1  0.61  0.27  0.62  1.0
  Ni  Ni7  1  0.61  0.27  0.86  1.0
  Ni  Ni8  1  0.61  0.73  0.62  1.0
  Ni  Ni9  1  0.61  0.73  0.86  1.0
  Ni  Ni10  1  0.68  0.0  0.0  1.0
  Ni  Ni11  1  0.68  0.0  0.24  1.0
  Ni  Ni12  1  0.68  0.33  0.51  1.0
  Ni  Ni13  1  0.68  0.33  0.97  1.0
  Ni  Ni14  1  0.68  0.67  0.51  1.0
  Ni  Ni15  1  0.68  0.67  0.97  1.0
  Ni  Ni16  1  0.76  0.27  0.62  1.0
  Ni  Ni17  1  0.76  0.27  0.86  1.0
  Ni  Ni18  1  0.76  0.73  0.62  1.0
  Ni  Ni19  1  0.76  0.73  0.86  1.0
  Ni  Ni20  1  0.79  0.33  0.23  1.0
  Ni  Ni21  1  0.79  0.33  0.25  1.0
  Ni  Ni22  1  0.79  0.67  0.23  1.0
  Ni  Ni23  1  0.79  0.67  0.25  1.0
  Hg  Hg24  1  0.68  0.0  0.61  1.0
  Hg  Hg25  1  0.68  0.0  0.87  1.0
  Hg  Hg26  1  0.68  0.45  0.24  1.0
  Hg  Hg27  1  0.68  0.55  0.24  1.0
  Mo  Mo28  1  0.0  0.0  0.66  1.0
  Mo  Mo29  1  0.0  0.0  0.82  1.0
  Mo  Mo30  1  0.68  0.36  0.0  1.0
  Mo  Mo31  1  0.68  0.64  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 Mo Mo Mo Mo