data_Nb3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   13.87
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Co
_chemical_formula_sum   'Nb18 Co6'
_cell_volume   393.15
_cell_formula_units_Z   6
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
  Nb  Nb6  1  0.08  0.44  0.29  1.0
  Nb  Nb7  1  0.08  0.43  0.29  1.0
  Nb  Nb8  1  0.08  0.94  0.14  1.0
  Nb  Nb9  1  0.11  0.0  0.05  1.0
  Nb  Nb10  1  0.1  0.38  0.9  1.0
  Nb  Nb11  1  0.1  0.5  0.9  1.0
  Nb  Nb12  1  0.73  0.0  0.57  1.0
  Nb  Nb13  1  0.73  0.95  0.55  1.0
  Nb  Nb14  1  0.73  0.93  0.55  1.0
  Nb  Nb15  1  0.38  0.44  0.29  1.0
  Nb  Nb16  1  0.38  0.43  0.29  1.0
  Nb  Nb17  1  0.38  0.94  0.14  1.0
  Nb  Nb18  1  0.35  0.0  0.05  1.0
  Nb  Nb19  1  0.35  0.38  0.9  1.0
  Nb  Nb20  1  0.35  0.5  0.9  1.0
  Nb  Nb21  1  0.0  0.94  0.62  1.0
  Nb  Nb22  1  0.0  0.01  0.64  1.0
  Nb  Nb23  1  0.0  0.87  0.64  1.0
  Co  Co0  1  0.73  0.94  0.02  1.0
  Co  Co1  1  0.73  0.27  0.8  1.0
  Co  Co2  1  0.73  0.61  0.8  1.0
  Co  Co3  1  0.0  0.0  0.17  1.0
  Co  Co4  1  0.0  0.2  0.39  1.0
  Co  Co5  1  0.0  0.67  0.39  1.0

data_Nb3Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.19
_cell_length_b   5.46
_cell_length_c   13.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Co
_chemical_formula_sum   'Nb18 Co6'
_cell_volume   393.15
_cell_formula_units_Z   6
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
  Nb  Nb0  1  0.05  0.11  0.0  1.0
  Nb  Nb1  1  0.05  0.35  0.0  1.0
  Nb  Nb2  1  0.14  0.08  0.94  1.0
  Nb  Nb3  1  0.14  0.38  0.94  1.0
  Nb  Nb4  1  0.29  0.08  0.43  1.0
  Nb  Nb5  1  0.29  0.08  0.44  1.0
  Nb  Nb6  1  0.29  0.38  0.43  1.0
  Nb  Nb7  1  0.29  0.38  0.44  1.0
  Nb  Nb8  1  0.55  0.73  0.93  1.0
  Nb  Nb9  1  0.55  0.73  0.95  1.0
  Nb  Nb10  1  0.57  0.73  0.0  1.0
  Nb  Nb11  1  0.62  0.0  0.94  1.0
  Nb  Nb12  1  0.64  0.0  0.01  1.0
  Nb  Nb13  1  0.64  0.0  0.87  1.0
  Nb  Nb14  1  0.9  0.1  0.38  1.0
  Nb  Nb15  1  0.9  0.1  0.5  1.0
  Nb  Nb16  1  0.9  0.35  0.38  1.0
  Nb  Nb17  1  0.9  0.35  0.5  1.0
  Co  Co18  1  0.02  0.73  0.94  1.0
  Co  Co19  1  0.17  0.0  0.0  1.0
  Co  Co20  1  0.39  0.0  0.2  1.0
  Co  Co21  1  0.39  0.0  0.67  1.0
  Co  Co22  1  0.8  0.73  0.27  1.0
  Co  Co23  1  0.8  0.73  0.61  1.0

Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Co Co Co Co Co Co
Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Co Co Co Co Co Co 0 1 o o o 0 22 o o o 0 23 o o o 1 22 o o o 1 23 o o o 2 21 o + o 2 3 o + o 2 18 - o o 3 21 o o o 3 18 - - o 3 22 o o o 4 13 o o o 4 5 o o o 4 19 - o o 4 22 o o + 4 22 o o o 5 14 o o o 5 20 - o o 5 23 o o + 5 23 o o o 6 7 o - o 6 22 + o o 7 8 o o o 9 10 o o o 11 12 o + o 11 18 o o o 12 18 o - o 13 14 o o o 13 19 o o o 14 20 o o o 15 17 o o o 15 16 o + o 16 22 o o o 17 23 o o o 18 21 + + o 19 22 + o o 19 22 + o + 20 23 + o o 20 23 + o + 21 22 o o o 