# generated using pymatgen
data_NbBr2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92237750
_cell_length_b   7.06102318
_cell_length_c   7.46907643
_cell_angle_alpha   104.61070109
_cell_angle_beta   105.27556480
_cell_angle_gamma   89.99233088
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBr2O
_chemical_formula_sum   'Nb2 Br4 O2'
_cell_volume   192.61378742
_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  0.00842811  0.71407122  0.99954691  1.0
  Nb  Nb1  1  0.00918168  0.28592769  0.00043733  1.0
  Br  Br2  1  0.92296142  0.93237680  0.74420585  1.0
  Br  Br3  1  0.89447536  0.41823497  0.69711224  1.0
  Br  Br4  1  0.19855419  0.58201658  0.30277636  1.0
  Br  Br5  1  0.17893889  0.06755587  0.25600632  1.0
  O  O6  1  0.53948520  0.72026401  0.99888866  1.0
  O  O7  1  0.54077416  0.27954985  0.00102633  1.0