# generated using pymatgen
data_NbCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73463678
_cell_length_b   4.73463678
_cell_length_c   15.46363480
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo3
_chemical_formula_sum   'Nb6 Co18'
_cell_volume   300.20336173
_cell_formula_units_Z   6
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  0.90830700  1
  Nb  Nb1  1  0.00000000  0.00000000  0.09169300  1
  Nb  Nb2  1  0.33333300  0.66666700  0.64921600  1
  Nb  Nb3  1  0.66666700  0.33333300  0.35078400  1
  Nb  Nb4  1  0.66666700  0.33333300  0.16055200  1
  Nb  Nb5  1  0.33333300  0.66666700  0.83944800  1
  Co  Co6  1  0.16298500  0.83701500  0.25285300  1
  Co  Co7  1  0.16298500  0.32597000  0.25285300  1
  Co  Co8  1  0.67403000  0.83701500  0.25285300  1
  Co  Co9  1  0.83701500  0.16298500  0.74714700  1
  Co  Co10  1  0.83701500  0.67403000  0.74714700  1
  Co  Co11  1  0.32597000  0.16298500  0.74714700  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  0.33333300  0.66666700  0.37497900  1
  Co  Co19  1  0.66666700  0.33333300  0.62502100  1
  Co  Co20  1  0.66666700  0.33333300  0.87238400  1
  Co  Co21  1  0.33333300  0.66666700  0.12761600  1
  Co  Co22  1  0.00000000  0.00000000  0.41281600  1
  Co  Co23  1  0.00000000  0.00000000  0.58718400  1
