data_CdCuNi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   10.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuNi6
_chemical_formula_sum   'Cd4 Cu4 Ni24'
_cell_volume   383.2
_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  0.62  0.48  0.15  1.0
  Cd  Cd1  1  0.62  0.52  0.15  1.0
  Cd  Cd2  1  0.62  0.0  0.75  1.0
  Cd  Cd3  1  0.62  0.0  0.54  1.0
  Cu  Cu4  1  0.62  0.48  0.0  1.0
  Cu  Cu5  1  0.62  0.52  0.0  1.0
  Cu  Cu6  1  0.0  0.0  0.78  1.0
  Cu  Cu7  1  0.0  0.0  0.52  1.0
  Ni  Ni8  1  0.62  0.38  0.82  1.0
  Ni  Ni9  1  0.75  0.69  0.07  1.0
  Ni  Ni10  1  0.48  0.31  0.07  1.0
  Ni  Ni11  1  0.62  0.62  0.82  1.0
  Ni  Ni12  1  0.48  0.69  0.07  1.0
  Ni  Ni13  1  0.75  0.31  0.07  1.0
  Ni  Ni14  1  0.0  0.0  0.15  1.0
  Ni  Ni15  1  0.5  0.26  0.51  1.0
  Ni  Ni16  1  0.5  0.74  0.51  1.0
  Ni  Ni17  1  0.62  0.38  0.48  1.0
  Ni  Ni18  1  0.73  0.74  0.79  1.0
  Ni  Ni19  1  0.5  0.26  0.79  1.0
  Ni  Ni20  1  0.62  0.62  0.48  1.0
  Ni  Ni21  1  0.5  0.74  0.79  1.0
  Ni  Ni22  1  0.73  0.26  0.79  1.0
  Ni  Ni23  1  0.0  0.0  0.0  1.0
  Ni  Ni24  1  0.48  0.31  0.23  1.0
  Ni  Ni25  1  0.48  0.69  0.23  1.0
  Ni  Ni26  1  0.62  0.0  0.15  1.0
  Ni  Ni27  1  0.73  0.26  0.51  1.0
  Ni  Ni28  1  0.73  0.74  0.51  1.0
  Ni  Ni29  1  0.62  0.0  0.0  1.0
  Ni  Ni30  1  0.75  0.31  0.23  1.0
  Ni  Ni31  1  0.75  0.69  0.23  1.0

data_CdCuNi6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   10.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuNi6
_chemical_formula_sum   'Cd4 Cu4 Ni24'
_cell_volume   383.2
_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  0.62  0.0  0.54  1.0
  Cd  Cd1  1  0.62  0.0  0.75  1.0
  Cd  Cd2  1  0.62  0.48  0.15  1.0
  Cd  Cd3  1  0.62  0.52  0.15  1.0
  Cu  Cu4  1  0.0  0.0  0.52  1.0
  Cu  Cu5  1  0.0  0.0  0.78  1.0
  Cu  Cu6  1  0.62  0.48  0.0  1.0
  Cu  Cu7  1  0.62  0.52  0.0  1.0
  Ni  Ni8  1  0.0  0.0  0.0  1.0
  Ni  Ni9  1  0.0  0.0  0.15  1.0
  Ni  Ni10  1  0.48  0.31  0.07  1.0
  Ni  Ni11  1  0.48  0.31  0.23  1.0
  Ni  Ni12  1  0.48  0.69  0.07  1.0
  Ni  Ni13  1  0.48  0.69  0.23  1.0
  Ni  Ni14  1  0.5  0.26  0.51  1.0
  Ni  Ni15  1  0.5  0.26  0.79  1.0
  Ni  Ni16  1  0.5  0.74  0.51  1.0
  Ni  Ni17  1  0.5  0.74  0.79  1.0
  Ni  Ni18  1  0.62  0.0  0.0  1.0
  Ni  Ni19  1  0.62  0.0  0.15  1.0
  Ni  Ni20  1  0.62  0.38  0.48  1.0
  Ni  Ni21  1  0.62  0.38  0.82  1.0
  Ni  Ni22  1  0.62  0.62  0.48  1.0
  Ni  Ni23  1  0.62  0.62  0.82  1.0
  Ni  Ni24  1  0.73  0.26  0.51  1.0
  Ni  Ni25  1  0.73  0.26  0.79  1.0
  Ni  Ni26  1  0.73  0.74  0.51  1.0
  Ni  Ni27  1  0.73  0.74  0.79  1.0
  Ni  Ni28  1  0.75  0.31  0.07  1.0
  Ni  Ni29  1  0.75  0.31  0.23  1.0
  Ni  Ni30  1  0.75  0.69  0.07  1.0
  Ni  Ni31  1  0.75  0.69  0.23  1.0

Cd Cd Cd Cd Cu Cu Cu Cu Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni