# generated using pymatgen
data_NaBrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12420900
_cell_length_b   7.68581323
_cell_length_c   8.16617211
_cell_angle_alpha   87.44489844
_cell_angle_beta   85.89005659
_cell_angle_gamma   78.73787479
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBrO3
_chemical_formula_sum   'Na4 Br4 O12'
_cell_volume   437.18979559
_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
  Na  Na0  1  0.52183100  0.39797200  0.03602600  1.0
  Na  Na1  1  0.53408800  0.03686300  0.51305600  1.0
  Na  Na2  1  0.05345000  0.61231400  0.53413000  1.0
  Na  Na3  1  0.06797200  0.01732100  0.97492700  1.0
  Br  Br4  1  0.19719900  0.64280900  0.87012300  1.0
  Br  Br5  1  0.35015600  0.36232900  0.37022700  1.0
  Br  Br6  1  0.86410200  0.18386800  0.67460400  1.0
  Br  Br7  1  0.72199300  0.88503000  0.16550400  1.0
  O  O8  1  0.11218100  0.99536600  0.35050600  1.0
  O  O9  1  0.99062900  0.35665800  0.14836900  1.0
  O  O10  1  0.80308600  0.22665100  0.88854000  1.0
  O  O11  1  0.35318800  0.15643200  0.99679500  1.0
  O  O12  1  0.21354200  0.88856500  0.44224400  1.0
  O  O13  1  0.71068000  0.56377300  0.55348900  1.0
  O  O14  1  0.33330900  0.01966800  0.76256700  1.0
  O  O15  1  0.56078700  0.55365700  0.70005400  1.0
  O  O16  1  0.79265600  0.85615500  0.37369200  1.0
  O  O17  1  0.54190600  0.70057600  0.58166000  1.0
  O  O18  1  0.43785900  0.10192700  0.85194200  1.0
  O  O19  1  0.83938500  0.44206600  0.21154400  1.0