# generated using pymatgen
data_ClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16163624
_cell_length_b   5.16163624
_cell_length_c   6.51240009
_cell_angle_alpha   76.01313810
_cell_angle_beta   76.01313810
_cell_angle_gamma   98.74603611
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ClO3
_chemical_formula_sum   'Cl2 O6'
_cell_volume   159.23670344
_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
  Cl  Cl0  1  0.42082800  0.15685800  0.57843800  1.0
  Cl  Cl1  1  0.15685800  0.42082800  0.07843800  1.0
  O  O2  1  0.72853700  0.13165600  0.52779600  1.0
  O  O3  1  0.13165600  0.72853700  0.02779600  1.0
  O  O4  1  0.94198400  0.54927200  0.64045000  1.0
  O  O5  1  0.54927200  0.94198400  0.14045000  1.0
  O  O6  1  0.73997000  0.62749600  0.72431600  1.0
  O  O7  1  0.62749600  0.73997000  0.22431600  1.0