# generated using pymatgen
data_NbCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77708542
_cell_length_b   4.77708542
_cell_length_c   15.58971081
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo2
_chemical_formula_sum   'Nb8 Co16'
_cell_volume   308.10213295
_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  0.00000000  0.00000000  0.40698700  1
  Nb  Nb1  1  0.00000000  0.00000000  0.59301300  1
  Nb  Nb2  1  0.00000000  0.00000000  0.90698700  1
  Nb  Nb3  1  0.00000000  0.00000000  0.09301300  1
  Nb  Nb4  1  0.33333300  0.66666700  0.65609300  1
  Nb  Nb5  1  0.66666700  0.33333300  0.34390700  1
  Nb  Nb6  1  0.66666700  0.33333300  0.15609300  1
  Nb  Nb7  1  0.33333300  0.66666700  0.84390700  1
  Co  Co8  1  0.33333300  0.66666700  0.37456800  1
  Co  Co9  1  0.66666700  0.33333300  0.62543200  1
  Co  Co10  1  0.66666700  0.33333300  0.87456800  1
  Co  Co11  1  0.33333300  0.66666700  0.12543200  1
  Co  Co12  1  0.50000000  0.50000000  0.50000000  1
  Co  Co13  1  0.50000000  0.00000000  0.50000000  1
  Co  Co14  1  0.00000000  0.50000000  0.50000000  1
  Co  Co15  1  0.50000000  0.50000000  0.00000000  1
  Co  Co16  1  0.50000000  0.00000000  0.00000000  1
  Co  Co17  1  0.00000000  0.50000000  0.00000000  1
  Co  Co18  1  0.16555100  0.83444900  0.25000000  1
  Co  Co19  1  0.16555100  0.33110200  0.25000000  1
  Co  Co20  1  0.66889800  0.83444900  0.25000000  1
  Co  Co21  1  0.83444900  0.16555100  0.75000000  1
  Co  Co22  1  0.83444900  0.66889800  0.75000000  1
  Co  Co23  1  0.33110200  0.16555100  0.75000000  1
