# generated using pymatgen
data_NbBr3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.87544428
_cell_length_b   11.87544428
_cell_length_c   3.93837323
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBr3O
_chemical_formula_sum   'Nb4 Br12 O4'
_cell_volume   555.41371962
_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  0.12396329  0.37603671  0.20216658  1.0
  Nb  Nb1  1  0.87603671  0.62396329  0.20216658  1.0
  Nb  Nb2  1  0.37603671  0.87603671  0.79783342  1.0
  Nb  Nb3  1  0.62396329  0.12396329  0.79783342  1.0
  Br  Br4  1  0.60339779  0.89660221  0.73946915  1.0
  Br  Br5  1  0.89660221  0.39660221  0.26053085  1.0
  Br  Br6  1  0.39660221  0.10339779  0.73946915  1.0
  Br  Br7  1  0.82850110  0.10291564  0.74712479  1.0
  Br  Br8  1  0.10339779  0.60339779  0.26053085  1.0
  Br  Br9  1  0.89708436  0.82850110  0.25287521  1.0
  Br  Br10  1  0.17149890  0.89708436  0.74712479  1.0
  Br  Br11  1  0.39708436  0.67149890  0.74712479  1.0
  Br  Br12  1  0.67149890  0.60291564  0.25287521  1.0
  Br  Br13  1  0.10291564  0.17149890  0.25287521  1.0
  Br  Br14  1  0.32850110  0.39708436  0.25287521  1.0
  Br  Br15  1  0.60291564  0.32850110  0.74712479  1.0
  O  O16  1  0.88547262  0.61452738  0.74422145  1.0
  O  O17  1  0.61452738  0.11452738  0.25577855  1.0
  O  O18  1  0.11452738  0.38547262  0.74422145  1.0
  O  O19  1  0.38547262  0.88547262  0.25577855  1.0