data_Hg(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.62
_cell_length_c   9.45
_cell_angle_alpha   90.0
_cell_angle_beta   100.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg(ClO3)2
_chemical_formula_sum   'Hg2 Cl4 O12'
_cell_volume   303.96
_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
  Hg  Hg0  1  0.09  0.36  0.73  1.0
  Hg  Hg1  1  0.97  0.56  0.55  1.0
  Cl  Cl2  1  0.49  0.43  0.61  1.0
  Cl  Cl3  1  0.22  0.42  0.99  1.0
  Cl  Cl4  1  0.83  0.61  0.29  1.0
  Cl  Cl5  1  0.56  0.24  0.67  1.0
  O  O6  1  0.34  0.39  0.48  1.0
  O  O7  1  0.0  0.49  0.74  1.0
  O  O8  1  0.84  0.55  0.62  1.0
  O  O9  1  0.1  0.19  0.46  1.0
  O  O10  1  0.69  0.18  0.09  1.0
  O  O11  1  0.14  0.46  0.05  1.0
  O  O12  1  0.91  0.65  0.23  1.0
  O  O13  1  0.37  0.99  0.19  1.0
  O  O14  1  0.95  0.0  0.82  1.0
  O  O15  1  0.21  0.36  0.66  1.0
  O  O16  1  0.05  0.29  0.54  1.0
  O  O17  1  0.72  0.2  0.8  1.0

data_Hg(ClO3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.62
_cell_length_b   5.83
_cell_length_c   9.45
_cell_angle_alpha   100.86
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg(ClO3)2
_chemical_formula_sum   'Hg2 Cl4 O12'
_cell_volume   303.96
_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
  Hg  Hg0  1  0.44  0.03  0.45  1.0
  Hg  Hg1  1  0.64  0.91  0.27  1.0
  Cl  Cl2  1  0.39  0.17  0.71  1.0
  Cl  Cl3  1  0.57  0.51  0.39  1.0
  Cl  Cl4  1  0.58  0.78  0.01  1.0
  Cl  Cl5  1  0.76  0.44  0.33  1.0
  O  O6  1  0.01  0.63  0.81  1.0
  O  O7  1  0.35  0.09  0.77  1.0
  O  O8  1  0.45  0.16  0.38  1.0
  O  O9  1  0.51  1.0  0.26  1.0
  O  O10  1  0.54  0.86  0.95  1.0
  O  O11  1  0.61  0.66  0.52  1.0
  O  O12  1  0.64  0.79  0.34  1.0
  O  O13  1  0.71  0.95  0.46  1.0
  O  O14  1  0.8  0.28  0.2  1.0
  O  O15  1  0.81  0.9  0.54  1.0
  O  O16  1  0.82  0.31  0.91  1.0
  O  O17  1  1.0  0.05  0.18  1.0

Hg Hg Cl Cl Cl Cl O O O O O O O O O O O O