data_TiCdCo6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   10.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCdCo6
_chemical_formula_sum   'Ti4 Cd4 Co24'
_cell_volume   397.09
_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
  Ti  Ti28  1  0.66  0.62  0.0  1.0
  Ti  Ti29  1  0.66  0.38  0.0  1.0
  Ti  Ti30  1  0.0  0.0  0.5  1.0
  Ti  Ti31  1  0.0  0.0  0.94  1.0
  Cd  Cd0  1  0.66  0.56  0.22  1.0
  Cd  Cd1  1  0.66  0.44  0.22  1.0
  Cd  Cd2  1  0.66  0.0  0.59  1.0
  Cd  Cd3  1  0.66  0.0  0.85  1.0
  Co  Co4  1  0.66  0.66  0.55  1.0
  Co  Co5  1  0.55  0.72  0.86  1.0
  Co  Co6  1  0.76  0.28  0.86  1.0
  Co  Co7  1  0.66  0.34  0.55  1.0
  Co  Co8  1  0.76  0.72  0.86  1.0
  Co  Co9  1  0.55  0.28  0.86  1.0
  Co  Co10  1  0.66  0.0  0.0  1.0
  Co  Co11  1  0.8  0.32  0.26  1.0
  Co  Co12  1  0.8  0.68  0.26  1.0
  Co  Co13  1  0.66  0.66  0.89  1.0
  Co  Co14  1  0.52  0.68  0.18  1.0
  Co  Co15  1  0.8  0.32  0.18  1.0
  Co  Co16  1  0.66  0.34  0.89  1.0
  Co  Co17  1  0.8  0.68  0.18  1.0
  Co  Co18  1  0.52  0.32  0.18  1.0
  Co  Co19  1  0.66  0.0  0.22  1.0
  Co  Co20  1  0.76  0.28  0.58  1.0
  Co  Co21  1  0.76  0.72  0.58  1.0
  Co  Co22  1  0.0  0.0  0.0  1.0
  Co  Co23  1  0.52  0.32  0.26  1.0
  Co  Co24  1  0.52  0.68  0.26  1.0
  Co  Co25  1  0.0  0.0  0.22  1.0
  Co  Co26  1  0.55  0.28  0.58  1.0
  Co  Co27  1  0.55  0.72  0.58  1.0

data_TiCdCo6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   10.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCdCo6
_chemical_formula_sum   'Ti4 Cd4 Co24'
_cell_volume   397.09
_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
  Ti  Ti0  1  0.0  0.0  0.5  1.0
  Ti  Ti1  1  0.0  0.0  0.94  1.0
  Ti  Ti2  1  0.66  0.38  0.0  1.0
  Ti  Ti3  1  0.66  0.62  0.0  1.0
  Cd  Cd4  1  0.66  0.0  0.59  1.0
  Cd  Cd5  1  0.66  0.0  0.85  1.0
  Cd  Cd6  1  0.66  0.44  0.22  1.0
  Cd  Cd7  1  0.66  0.56  0.22  1.0
  Co  Co8  1  0.0  0.0  0.0  1.0
  Co  Co9  1  0.0  0.0  0.22  1.0
  Co  Co10  1  0.52  0.32  0.18  1.0
  Co  Co11  1  0.52  0.32  0.26  1.0
  Co  Co12  1  0.52  0.68  0.18  1.0
  Co  Co13  1  0.52  0.68  0.26  1.0
  Co  Co14  1  0.55  0.28  0.58  1.0
  Co  Co15  1  0.55  0.28  0.86  1.0
  Co  Co16  1  0.55  0.72  0.58  1.0
  Co  Co17  1  0.55  0.72  0.86  1.0
  Co  Co18  1  0.66  0.0  0.0  1.0
  Co  Co19  1  0.66  0.0  0.22  1.0
  Co  Co20  1  0.66  0.34  0.55  1.0
  Co  Co21  1  0.66  0.34  0.89  1.0
  Co  Co22  1  0.66  0.66  0.55  1.0
  Co  Co23  1  0.66  0.66  0.89  1.0
  Co  Co24  1  0.76  0.28  0.58  1.0
  Co  Co25  1  0.76  0.28  0.86  1.0
  Co  Co26  1  0.76  0.72  0.58  1.0
  Co  Co27  1  0.76  0.72  0.86  1.0
  Co  Co28  1  0.8  0.32  0.18  1.0
  Co  Co29  1  0.8  0.32  0.26  1.0
  Co  Co30  1  0.8  0.68  0.18  1.0
  Co  Co31  1  0.8  0.68  0.26  1.0

Ti Ti Ti Ti Cd Cd Cd Cd Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co