# generated using pymatgen
data_NbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88493833
_cell_length_b   6.88493833
_cell_length_c   6.88493833
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbO3
_chemical_formula_sum   'Nb4 O12'
_cell_volume   251.23391928
_cell_formula_units_Z   4
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  0.50000000  0.00000000  0.00000000  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.50000000  1.0
  Nb  Nb2  1  0.00000000  0.50000000  0.00000000  1.0
  Nb  Nb3  1  0.50000000  0.50000000  0.50000000  1.0
  O  O4  1  0.23293300  0.96681200  0.73387800  1.0
  O  O5  1  0.76706700  0.03318800  0.26612200  1.0
  O  O6  1  0.23293300  0.49905500  0.26612200  1.0
  O  O7  1  0.76706700  0.50094500  0.73387800  1.0
  O  O8  1  0.73387800  0.23293300  0.96681200  1.0
  O  O9  1  0.26612200  0.76706700  0.03318800  1.0
  O  O10  1  0.26612200  0.23293300  0.49905500  1.0
  O  O11  1  0.73387800  0.76706700  0.50094500  1.0
  O  O12  1  0.96681200  0.73387800  0.23293300  1.0
  O  O13  1  0.03318800  0.26612200  0.76706700  1.0
  O  O14  1  0.49905500  0.26612200  0.23293300  1.0
  O  O15  1  0.50094500  0.73387800  0.76706700  1.0