data_Nb3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Co
_chemical_formula_sum   'Nb6 Co2'
_cell_volume   129.16
_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  Nb2  1  0.09  0.52  0.37  1.0
  Nb  Nb3  1  0.09  0.48  0.12  1.0
  Nb  Nb4  1  0.56  0.88  0.37  1.0
  Nb  Nb5  1  0.62  0.12  0.12  1.0
  Nb  Nb6  1  0.62  0.88  0.37  1.0
  Nb  Nb7  1  0.56  0.12  0.12  1.0
  Co  Co0  1  0.09  0.61  0.12  1.0
  Co  Co1  1  0.09  0.39  0.37  1.0

data_Nb3Co
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.5
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   112.69
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Nb3Co
_chemical_formula_sum   'Nb6 Co2'
_cell_volume   129.16
_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  0.12  0.0  0.52  1.0
  Nb  Nb1  2  0.12  0.47  0.88  1.0
  Nb  Nb2  2  0.12  0.53  0.88  1.0
  Co  Co3  2  0.12  0.0  0.39  1.0

Nb Nb Nb Nb Nb Nb Co Co