data_Cd5Ni24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.74
_cell_length_b   7.74
_cell_length_c   7.74
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd5Ni24
_chemical_formula_sum   'Cd5 Ni24'
_cell_volume   357.15
_cell_formula_units_Z   1
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  0.81  0.19  0.81  1.0
  Cd  Cd1  1  0.19  0.81  0.81  1.0
  Cd  Cd2  1  0.81  0.81  0.19  1.0
  Cd  Cd3  1  0.65  0.65  0.65  1.0
  Cd  Cd4  1  0.0  0.0  0.0  1.0
  Ni  Ni5  1  0.84  0.16  0.55  1.0
  Ni  Ni6  1  0.16  0.84  0.55  1.0
  Ni  Ni7  1  0.84  0.84  0.39  1.0
  Ni  Ni8  1  0.63  0.63  0.92  1.0
  Ni  Ni9  1  0.84  0.39  0.84  1.0
  Ni  Ni10  1  0.63  0.92  0.63  1.0
  Ni  Ni11  1  0.16  0.55  0.84  1.0
  Ni  Ni12  1  0.84  0.55  0.16  1.0
  Ni  Ni13  1  0.55  0.16  0.84  1.0
  Ni  Ni14  1  0.55  0.84  0.16  1.0
  Ni  Ni15  1  0.92  0.63  0.63  1.0
  Ni  Ni16  1  0.39  0.84  0.84  1.0
  Ni  Ni17  1  0.78  0.22  0.8  1.0
  Ni  Ni18  1  0.22  0.78  0.8  1.0
  Ni  Ni19  1  0.25  0.25  0.67  1.0
  Ni  Ni20  1  0.22  0.22  0.14  1.0
  Ni  Ni21  1  0.25  0.67  0.25  1.0
  Ni  Ni22  1  0.22  0.14  0.22  1.0
  Ni  Ni23  1  0.22  0.8  0.78  1.0
  Ni  Ni24  1  0.78  0.8  0.22  1.0
  Ni  Ni25  1  0.8  0.22  0.78  1.0
  Ni  Ni26  1  0.8  0.78  0.22  1.0
  Ni  Ni27  1  0.14  0.22  0.22  1.0
  Ni  Ni28  1  0.67  0.25  0.25  1.0

data_Cd5Ni24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.64
_cell_length_b   12.64
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cd5Ni24
_chemical_formula_sum   'Cd15 Ni72'
_cell_volume   1071.44
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  9  0.21  0.42  0.6  1.0
  Cd  Cd1  3  0.0  0.0  0.0  1.0
  Cd  Cd2  3  0.0  0.0  0.65  1.0
  Ni  Ni3  18  0.03  0.36  0.52  1.0
  Ni  Ni4  18  0.18  0.38  0.6  1.0
  Ni  Ni5  9  0.03  0.05  0.19  1.0
  Ni  Ni6  9  0.03  0.52  0.36  1.0
  Ni  Ni7  9  0.19  0.1  0.73  1.0
  Ni  Ni8  9  0.19  0.39  0.06  1.0

Cd 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