# generated using pymatgen
data_C2BrNO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51708900
_cell_length_b   6.30557941
_cell_length_c   8.60144995
_cell_angle_alpha   110.94884505
_cell_angle_beta   98.04569352
_cell_angle_gamma   98.55527580
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C2BrNO
_chemical_formula_sum   'C4 Br2 N2 O2'
_cell_volume   221.25004781
_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
  C  C0  1  0.82705300  0.98780400  0.68971700  1.0
  C  C1  1  0.17294700  0.01219600  0.31028300  1.0
  C  C2  1  0.64634100  0.70201900  0.77388300  1.0
  C  C3  1  0.35365900  0.29798100  0.22611700  1.0
  Br  Br4  1  0.77314800  0.18240900  0.74955300  1.0
  Br  Br5  1  0.22685200  0.81759100  0.25044700  1.0
  N  N6  1  0.50106800  0.47257700  0.84171400  1.0
  N  N7  1  0.49893200  0.52742300  0.15828600  1.0
  O  O8  1  0.98845700  0.08688200  0.59613000  1.0
  O  O9  1  0.01154300  0.91311800  0.40387000  1.0