data_CaNbCo6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   10.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbCo6
_chemical_formula_sum   'Ca4 Nb4 Co24'
_cell_volume   423.66
_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
  Ca  Ca0  1  0.74  0.28  0.0  1.0
  Ca  Ca1  1  0.74  0.72  0.0  1.0
  Ca  Ca2  1  0.0  0.0  0.95  1.0
  Ca  Ca3  1  0.0  0.0  0.74  1.0
  Nb  Nb28  1  0.74  0.34  0.34  1.0
  Nb  Nb29  1  0.74  0.66  0.34  1.0
  Nb  Nb30  1  0.74  0.0  0.95  1.0
  Nb  Nb31  1  0.74  0.0  0.74  1.0
  Co  Co4  1  0.74  0.43  0.91  1.0
  Co  Co5  1  0.97  0.72  0.26  1.0
  Co  Co6  1  0.51  0.28  0.26  1.0
  Co  Co7  1  0.74  0.57  0.91  1.0
  Co  Co8  1  0.51  0.72  0.26  1.0
  Co  Co9  1  0.97  0.28  0.26  1.0
  Co  Co10  1  0.0  0.0  0.34  1.0
  Co  Co11  1  0.55  0.36  0.61  1.0
  Co  Co12  1  0.55  0.64  0.61  1.0
  Co  Co13  1  0.74  0.43  0.77  1.0
  Co  Co14  1  0.93  0.64  0.08  1.0
  Co  Co15  1  0.55  0.36  0.08  1.0
  Co  Co16  1  0.74  0.57  0.77  1.0
  Co  Co17  1  0.55  0.64  0.08  1.0
  Co  Co18  1  0.93  0.36  0.08  1.0
  Co  Co19  1  0.0  0.0  0.0  1.0
  Co  Co20  1  0.51  0.28  0.42  1.0
  Co  Co21  1  0.51  0.72  0.42  1.0
  Co  Co22  1  0.74  0.0  0.34  1.0
  Co  Co23  1  0.93  0.36  0.61  1.0
  Co  Co24  1  0.93  0.64  0.61  1.0
  Co  Co25  1  0.74  0.0  0.0  1.0
  Co  Co26  1  0.97  0.28  0.42  1.0
  Co  Co27  1  0.97  0.72  0.42  1.0

data_CaNbCo6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   10.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbCo6
_chemical_formula_sum   'Ca4 Nb4 Co24'
_cell_volume   423.66
_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
  Ca  Ca0  1  0.0  0.0  0.74  1.0
  Ca  Ca1  1  0.0  0.0  0.95  1.0
  Ca  Ca2  1  0.74  0.28  0.0  1.0
  Ca  Ca3  1  0.74  0.72  0.0  1.0
  Nb  Nb4  1  0.74  0.0  0.74  1.0
  Nb  Nb5  1  0.74  0.0  0.95  1.0
  Nb  Nb6  1  0.74  0.34  0.34  1.0
  Nb  Nb7  1  0.74  0.66  0.34  1.0
  Co  Co8  1  0.0  0.0  0.0  1.0
  Co  Co9  1  0.0  0.0  0.34  1.0
  Co  Co10  1  0.51  0.28  0.26  1.0
  Co  Co11  1  0.51  0.28  0.42  1.0
  Co  Co12  1  0.51  0.72  0.26  1.0
  Co  Co13  1  0.51  0.72  0.42  1.0
  Co  Co14  1  0.55  0.36  0.08  1.0
  Co  Co15  1  0.55  0.36  0.61  1.0
  Co  Co16  1  0.55  0.64  0.08  1.0
  Co  Co17  1  0.55  0.64  0.61  1.0
  Co  Co18  1  0.74  0.0  0.0  1.0
  Co  Co19  1  0.74  0.0  0.34  1.0
  Co  Co20  1  0.74  0.43  0.77  1.0
  Co  Co21  1  0.74  0.43  0.91  1.0
  Co  Co22  1  0.74  0.57  0.77  1.0
  Co  Co23  1  0.74  0.57  0.91  1.0
  Co  Co24  1  0.93  0.36  0.08  1.0
  Co  Co25  1  0.93  0.36  0.61  1.0
  Co  Co26  1  0.93  0.64  0.08  1.0
  Co  Co27  1  0.93  0.64  0.61  1.0
  Co  Co28  1  0.97  0.28  0.26  1.0
  Co  Co29  1  0.97  0.28  0.42  1.0
  Co  Co30  1  0.97  0.72  0.26  1.0
  Co  Co31  1  0.97  0.72  0.42  1.0

Ca Ca Ca Ca 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