data_CdNi6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   10.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi6Mo
_chemical_formula_sum   'Cd4 Ni24 Mo4'
_cell_volume   396.88
_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
  Cd  Cd0  1  0.67  0.45  0.21  1.0
  Cd  Cd1  1  0.67  0.55  0.21  1.0
  Cd  Cd2  1  0.67  0.0  0.83  1.0
  Cd  Cd3  1  0.67  0.0  0.59  1.0
  Ni  Ni8  1  0.67  0.35  0.91  1.0
  Ni  Ni9  1  0.79  0.68  0.18  1.0
  Ni  Ni10  1  0.55  0.32  0.18  1.0
  Ni  Ni11  1  0.67  0.65  0.91  1.0
  Ni  Ni12  1  0.55  0.68  0.18  1.0
  Ni  Ni13  1  0.79  0.32  0.18  1.0
  Ni  Ni14  1  0.0  0.0  0.21  1.0
  Ni  Ni15  1  0.57  0.27  0.57  1.0
  Ni  Ni16  1  0.57  0.73  0.57  1.0
  Ni  Ni17  1  0.67  0.35  0.51  1.0
  Ni  Ni18  1  0.77  0.73  0.85  1.0
  Ni  Ni19  1  0.57  0.27  0.85  1.0
  Ni  Ni20  1  0.67  0.65  0.51  1.0
  Ni  Ni21  1  0.57  0.73  0.85  1.0
  Ni  Ni22  1  0.77  0.27  0.85  1.0
  Ni  Ni23  1  0.0  0.0  0.0  1.0
  Ni  Ni24  1  0.55  0.32  0.25  1.0
  Ni  Ni25  1  0.55  0.68  0.25  1.0
  Ni  Ni26  1  0.67  0.0  0.21  1.0
  Ni  Ni27  1  0.77  0.27  0.57  1.0
  Ni  Ni28  1  0.77  0.73  0.57  1.0
  Ni  Ni29  1  0.67  0.0  0.0  1.0
  Ni  Ni30  1  0.79  0.32  0.25  1.0
  Ni  Ni31  1  0.79  0.68  0.25  1.0
  Mo  Mo4  1  0.67  0.39  0.0  1.0
  Mo  Mo5  1  0.67  0.61  0.0  1.0
  Mo  Mo6  1  0.0  0.0  0.76  1.0
  Mo  Mo7  1  0.0  0.0  0.67  1.0

data_CdNi6Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   10.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi6Mo
_chemical_formula_sum   'Cd4 Ni24 Mo4'
_cell_volume   396.88
_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
  Cd  Cd0  1  0.67  0.0  0.59  1.0
  Cd  Cd1  1  0.67  0.0  0.83  1.0
  Cd  Cd2  1  0.67  0.45  0.21  1.0
  Cd  Cd3  1  0.67  0.55  0.21  1.0
  Ni  Ni4  1  0.0  0.0  0.0  1.0
  Ni  Ni5  1  0.0  0.0  0.21  1.0
  Ni  Ni6  1  0.55  0.32  0.18  1.0
  Ni  Ni7  1  0.55  0.32  0.25  1.0
  Ni  Ni8  1  0.55  0.68  0.18  1.0
  Ni  Ni9  1  0.55  0.68  0.25  1.0
  Ni  Ni10  1  0.57  0.27  0.57  1.0
  Ni  Ni11  1  0.57  0.27  0.85  1.0
  Ni  Ni12  1  0.57  0.73  0.57  1.0
  Ni  Ni13  1  0.57  0.73  0.85  1.0
  Ni  Ni14  1  0.67  0.0  0.0  1.0
  Ni  Ni15  1  0.67  0.0  0.21  1.0
  Ni  Ni16  1  0.67  0.35  0.51  1.0
  Ni  Ni17  1  0.67  0.35  0.91  1.0
  Ni  Ni18  1  0.67  0.65  0.51  1.0
  Ni  Ni19  1  0.67  0.65  0.91  1.0
  Ni  Ni20  1  0.77  0.27  0.57  1.0
  Ni  Ni21  1  0.77  0.27  0.85  1.0
  Ni  Ni22  1  0.77  0.73  0.57  1.0
  Ni  Ni23  1  0.77  0.73  0.85  1.0
  Ni  Ni24  1  0.79  0.32  0.18  1.0
  Ni  Ni25  1  0.79  0.32  0.25  1.0
  Ni  Ni26  1  0.79  0.68  0.18  1.0
  Ni  Ni27  1  0.79  0.68  0.25  1.0
  Mo  Mo28  1  0.0  0.0  0.67  1.0
  Mo  Mo29  1  0.0  0.0  0.76  1.0
  Mo  Mo30  1  0.67  0.39  -0.0  1.0
  Mo  Mo31  1  0.67  0.61  -0.0  1.0

Cd Cd Cd Cd Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Mo Mo Mo Mo
Cd Cd Cd Cd Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Mo Mo Mo Mo 0 1 o o o 2 17 o - o 2 25 o o + 2 18 o o o 3 12 o - o 3 23 o o o 4 15 o o o 4 28 o o + 4 18 o o o 4 25 o o + 5 27 o o o 5 10 + + o 5 19 + + o 6 20 o o o 7 29 o o + 7 14 o o o 7 17 o o o 7 19 + + + 7 25 o + + 8 21 o o o 8 22 o + o 9 26 o o o 9 22 o o o 10 27 - - o 10 22 - o o 10 19 o o o 11 13 o o o 11 23 o o o 12 16 o o o 12 24 o o o 13 23 o o o 14 17 o o o 14 19 + + + 14 25 o + + 15 18 o o o 15 25 o o + 16 24 o o o 17 25 o + + 18 25 o o + 19 29 - - o 19 25 - o o 19 30 o o - 21 22 o + o 22 25 o o o 22 26 o o o 25 28 o o o 25 29 o - o 30 31 o o o 