# generated using pymatgen
data_NClO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27166300
_cell_length_b   6.27166300
_cell_length_c   3.87210700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NClO2
_chemical_formula_sum   'N2 Cl2 O4'
_cell_volume   152.30451499
_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
  N  N0  1  0.00000000  0.00000000  0.00000000  1.0
  N  N1  1  0.50000000  0.50000000  0.00000000  1.0
  Cl  Cl2  1  0.00000000  0.50000000  0.41056100  1.0
  Cl  Cl3  1  0.50000000  0.00000000  0.58943900  1.0
  O  O4  1  0.64216500  0.85783500  0.38328100  1.0
  O  O5  1  0.35783500  0.14216500  0.38328100  1.0
  O  O6  1  0.14216500  0.64216500  0.61671900  1.0
  O  O7  1  0.85783500  0.35783500  0.61671900  1.0