data_Nb2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   4.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   53.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Co
_chemical_formula_sum   'Nb4 Co2'
_cell_volume   94.22
_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  0.89  0.08  1.0
  Nb  Nb3  1  0.19  0.11  0.24  1.0
  Nb  Nb4  1  0.19  0.89  0.08  1.0
  Nb  Nb5  1  0.09  0.11  0.24  1.0
  Co  Co0  1  0.64  0.47  0.08  1.0
  Co  Co1  1  0.64  0.53  0.24  1.0

data_Nb2Co
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.32
_cell_length_b   4.7
_cell_length_c   5.2
_cell_angle_alpha   116.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Nb2Co
_chemical_formula_sum   'Nb4 Co2'
_cell_volume   94.22
_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  0.42  0.89  0.34  1.0
  Nb  Nb1  2  0.42  0.89  0.44  1.0
  Co  Co2  2  0.42  0.47  0.47  1.0

Nb Nb Nb Nb Co Co
Nb Nb Nb Nb Co Co 0 2 o o o 1 3 o o o 4 5 o o o 