# generated using pymatgen
data_NbCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74271969
_cell_length_b   6.74271969
_cell_length_c   6.74271969
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo2
_chemical_formula_sum   'Nb8 Co16'
_cell_volume   306.55282055
_cell_formula_units_Z   8
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  0.25000000  0.75000000  0.25000000  1
  Nb  Nb1  1  0.00000000  0.00000000  0.50000000  1
  Nb  Nb2  1  0.25000000  0.25000000  0.75000000  1
  Nb  Nb3  1  0.00000000  0.50000000  0.00000000  1
  Nb  Nb4  1  0.75000000  0.75000000  0.75000000  1
  Nb  Nb5  1  0.50000000  0.00000000  0.00000000  1
  Nb  Nb6  1  0.75000000  0.25000000  0.25000000  1
  Nb  Nb7  1  0.50000000  0.50000000  0.50000000  1
  Co  Co8  1  0.87500000  0.12500000  0.87500000  1
  Co  Co9  1  0.37500000  0.87500000  0.62500000  1
  Co  Co10  1  0.12500000  0.87500000  0.87500000  1
  Co  Co11  1  0.62500000  0.12500000  0.62500000  1
  Co  Co12  1  0.87500000  0.62500000  0.37500000  1
  Co  Co13  1  0.37500000  0.37500000  0.12500000  1
  Co  Co14  1  0.12500000  0.37500000  0.37500000  1
  Co  Co15  1  0.62500000  0.62500000  0.12500000  1
  Co  Co16  1  0.37500000  0.12500000  0.37500000  1
  Co  Co17  1  0.87500000  0.87500000  0.12500000  1
  Co  Co18  1  0.62500000  0.87500000  0.37500000  1
  Co  Co19  1  0.12500000  0.12500000  0.12500000  1
  Co  Co20  1  0.37500000  0.62500000  0.87500000  1
  Co  Co21  1  0.87500000  0.37500000  0.62500000  1
  Co  Co22  1  0.62500000  0.37500000  0.87500000  1
  Co  Co23  1  0.12500000  0.62500000  0.62500000  1
