data_TiNbCo6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   10.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbCo6
_chemical_formula_sum   'Ti4 Nb4 Co24'
_cell_volume   372.89
_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  0.6  0.47  0.0  1.0
  Ti  Ti29  1  0.6  0.53  0.0  1.0
  Ti  Ti30  1  0.0  0.0  0.65  1.0
  Ti  Ti31  1  0.0  0.0  0.53  1.0
  Nb  Nb24  1  0.6  0.46  0.09  1.0
  Nb  Nb25  1  0.6  0.54  0.09  1.0
  Nb  Nb26  1  0.6  0.0  0.65  1.0
  Nb  Nb27  1  0.6  0.0  0.53  1.0
  Co  Co0  1  0.6  0.44  0.65  1.0
  Co  Co1  1  0.79  0.72  0.92  1.0
  Co  Co2  1  0.41  0.28  0.92  1.0
  Co  Co3  1  0.6  0.56  0.65  1.0
  Co  Co4  1  0.41  0.72  0.92  1.0
  Co  Co5  1  0.79  0.28  0.92  1.0
  Co  Co6  1  0.0  0.0  0.09  1.0
  Co  Co7  1  0.41  0.27  0.37  1.0
  Co  Co8  1  0.41  0.73  0.37  1.0
  Co  Co9  1  0.6  0.44  0.53  1.0
  Co  Co10  1  0.79  0.73  0.81  1.0
  Co  Co11  1  0.41  0.27  0.81  1.0
  Co  Co12  1  0.6  0.56  0.53  1.0
  Co  Co13  1  0.41  0.73  0.81  1.0
  Co  Co14  1  0.79  0.27  0.81  1.0
  Co  Co15  1  0.0  0.0  0.0  1.0
  Co  Co16  1  0.41  0.28  0.26  1.0
  Co  Co17  1  0.41  0.72  0.26  1.0
  Co  Co18  1  0.6  0.0  0.09  1.0
  Co  Co19  1  0.79  0.27  0.37  1.0
  Co  Co20  1  0.79  0.73  0.37  1.0
  Co  Co21  1  0.6  0.0  0.0  1.0
  Co  Co22  1  0.79  0.28  0.26  1.0
  Co  Co23  1  0.79  0.72  0.26  1.0

data_TiNbCo6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   10.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbCo6
_chemical_formula_sum   'Ti4 Nb4 Co24'
_cell_volume   372.89
_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  0.53  1.0
  Ti  Ti1  1  0.0  0.0  0.65  1.0
  Ti  Ti2  1  0.6  0.47  0.0  1.0
  Ti  Ti3  1  0.6  0.53  0.0  1.0
  Nb  Nb4  1  0.6  0.0  0.53  1.0
  Nb  Nb5  1  0.6  0.0  0.65  1.0
  Nb  Nb6  1  0.6  0.46  0.09  1.0
  Nb  Nb7  1  0.6  0.54  0.09  1.0
  Co  Co8  1  0.0  0.0  0.0  1.0
  Co  Co9  1  0.0  0.0  0.09  1.0
  Co  Co10  1  0.41  0.27  0.37  1.0
  Co  Co11  1  0.41  0.27  0.81  1.0
  Co  Co12  1  0.41  0.73  0.37  1.0
  Co  Co13  1  0.41  0.73  0.81  1.0
  Co  Co14  1  0.41  0.28  0.26  1.0
  Co  Co15  1  0.41  0.28  0.92  1.0
  Co  Co16  1  0.41  0.72  0.26  1.0
  Co  Co17  1  0.41  0.72  0.92  1.0
  Co  Co18  1  0.6  0.0  0.0  1.0
  Co  Co19  1  0.6  0.0  0.09  1.0
  Co  Co20  1  0.6  0.44  0.53  1.0
  Co  Co21  1  0.6  0.44  0.65  1.0
  Co  Co22  1  0.6  0.56  0.53  1.0
  Co  Co23  1  0.6  0.56  0.65  1.0
  Co  Co24  1  0.79  0.28  0.26  1.0
  Co  Co25  1  0.79  0.28  0.92  1.0
  Co  Co26  1  0.79  0.72  0.26  1.0
  Co  Co27  1  0.79  0.72  0.92  1.0
  Co  Co28  1  0.79  0.27  0.37  1.0
  Co  Co29  1  0.79  0.27  0.81  1.0
  Co  Co30  1  0.79  0.73  0.37  1.0
  Co  Co31  1  0.79  0.73  0.81  1.0

Ti Ti Ti Ti Nb Nb Nb Nb Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co