data_Nb3Co4B7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34
_cell_length_b   9.34
_cell_length_c   8.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   160.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Co4B7
_chemical_formula_sum   'Nb6 Co8 B14'
_cell_volume   262.39
_cell_formula_units_Z   2
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  0.6  0.36  0.22  1.0
  Nb  Nb1  1  0.6  0.64  0.67  1.0
  Nb  Nb2  1  0.6  0.51  0.94  1.0
  Nb  Nb3  1  0.6  0.49  0.96  1.0
  Nb  Nb4  1  0.6  0.49  0.49  1.0
  Nb  Nb5  1  0.6  0.51  0.4  1.0
  Co  Co6  1  0.6  0.22  0.22  1.0
  Co  Co7  1  0.6  0.78  0.67  1.0
  Co  Co8  1  0.6  0.67  0.22  1.0
  Co  Co9  1  0.6  0.33  0.67  1.0
  Co  Co10  1  0.6  0.46  0.49  1.0
  Co  Co11  1  0.6  0.54  0.4  1.0
  Co  Co12  1  0.6  0.54  0.05  1.0
  Co  Co13  1  0.6  0.46  0.85  1.0
  B  B14  1  0.6  0.62  0.22  1.0
  B  B15  1  0.6  0.38  0.67  1.0
  B  B16  1  0.6  0.82  0.76  1.0
  B  B17  1  0.6  0.18  0.13  1.0
  B  B18  1  0.6  0.18  0.31  1.0
  B  B19  1  0.6  0.82  0.58  1.0
  B  B20  1  0.6  0.13  0.73  1.0
  B  B21  1  0.6  0.87  0.16  1.0
  B  B22  1  0.6  0.87  0.29  1.0
  B  B23  1  0.6  0.13  0.61  1.0
  B  B24  1  0.6  0.08  0.28  1.0
  B  B25  1  0.6  0.92  0.62  1.0
  B  B26  1  0.6  0.92  0.83  1.0
  B  B27  1  0.6  0.08  0.06  1.0

data_Nb3Co4B7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.21
_cell_length_b   8.89
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   99.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Nb3Co4B7
_chemical_formula_sum   'Nb6 Co8 B14'
_cell_volume   262.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.36  0.72  0.36  1.0
  Nb  Nb1  2  0.49  0.46  0.49  1.0
  Nb  Nb2  2  0.49  0.99  0.49  1.0
  Co  Co3  2  0.22  0.72  0.22  1.0
  Co  Co4  2  0.33  0.28  0.33  1.0
  Co  Co5  2  0.46  0.1  0.46  1.0
  Co  Co6  2  0.46  0.45  0.46  1.0
  B  B7  2  0.08  0.67  0.08  1.0
  B  B8  2  0.08  0.88  0.08  1.0
  B  B9  2  0.13  0.21  0.13  1.0
  B  B10  2  0.13  0.34  0.13  1.0
  B  B11  2  0.18  0.63  0.18  1.0
  B  B12  2  0.18  0.81  0.18  1.0
  B  B13  2  0.38  0.28  0.38  1.0

Nb Nb Nb Nb Nb Nb Co Co Co Co Co Co Co Co B B B B B B B B B B B B B B