# generated using pymatgen
data_NbBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22521514
_cell_length_b   5.22521479
_cell_length_c   5.22521489
_cell_angle_alpha   106.15854541
_cell_angle_beta   106.15854431
_cell_angle_gamma   116.32149658
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBO4
_chemical_formula_sum   'Nb2 B2 O8'
_cell_volume   108.63133602
_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  Nb0  1  0.12500000  0.87500000  0.25000000  1.0
  Nb  Nb1  1  0.87500000  0.12500000  0.75000000  1.0
  B  B2  1  0.62500000  0.37500000  0.25000000  1.0
  B  B3  1  0.37500000  0.62500000  0.75000000  1.0
  O  O4  1  0.79909909  0.37165503  0.07255593  1.0
  O  O5  1  0.72654316  0.79909909  0.92744407  1.0
  O  O6  1  0.27345684  0.20090091  0.07255593  1.0
  O  O7  1  0.20090091  0.62834497  0.92744407  1.0
  O  O8  1  0.20090091  0.27345684  0.57255593  1.0
  O  O9  1  0.62834497  0.20090091  0.42744407  1.0
  O  O10  1  0.79909909  0.72654316  0.42744407  1.0
  O  O11  1  0.37165503  0.79909909  0.57255593  1.0