data_CoH12(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   6.13
_cell_angle_alpha   116.69
_cell_angle_beta   116.69
_cell_angle_gamma   67.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoH12(ClO3)2
_chemical_formula_sum   'Co1 H12 Cl2 O6'
_cell_volume   170.24
_cell_formula_units_Z   1
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
  Co  Co2  1  0.0  0.0  0.0  1.0
  H  H3  1  0.58  0.45  0.33  1.0
  H  H4  1  0.08  0.45  0.83  1.0
  H  H5  1  0.08  0.55  0.83  1.0
  H  H6  1  0.58  0.55  0.33  1.0
  H  H7  1  0.89  0.0  0.85  1.0
  H  H8  1  0.78  0.0  0.31  1.0
  H  H9  1  0.15  0.79  0.51  1.0
  H  H10  1  0.51  0.79  0.65  1.0
  H  H11  1  0.51  0.21  0.65  1.0
  H  H12  1  0.15  0.21  0.51  1.0
  H  H13  1  0.83  0.0  0.71  1.0
  H  H14  1  0.84  0.0  0.45  1.0
  Cl  Cl0  1  0.18  0.0  0.03  1.0
  Cl  Cl1  1  0.48  0.0  0.13  1.0
  O  O15  1  0.44  0.0  0.66  1.0
  O  O16  1  0.22  0.0  0.5  1.0
  O  O17  1  0.44  0.07  0.41  1.0
  O  O18  1  0.22  0.07  0.75  1.0
  O  O19  1  0.22  0.93  0.75  1.0
  O  O20  1  0.44  0.93  0.41  1.0

data_CoH12(ClO3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   6.13
_cell_angle_alpha   63.31
_cell_angle_beta   63.31
_cell_angle_gamma   67.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoH12(ClO3)2
_chemical_formula_sum   'Co1 H12 Cl2 O6'
_cell_volume   170.24
_cell_formula_units_Z   1
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
  Co  Co0  1  0.0  0.0  0.0  1.0
  H  H1  1  0.11  0.0  0.85  1.0
  H  H2  1  0.16  0.0  0.45  1.0
  H  H3  1  0.17  0.0  0.71  1.0
  H  H4  1  0.22  0.0  0.31  1.0
  H  H5  1  0.42  0.45  0.33  1.0
  H  H6  1  0.42  0.55  0.33  1.0
  H  H7  1  0.49  0.21  0.65  1.0
  H  H8  1  0.49  0.79  0.65  1.0
  H  H9  1  0.85  0.21  0.51  1.0
  H  H10  1  0.85  0.79  0.51  1.0
  H  H11  1  0.92  0.45  0.83  1.0
  H  H12  1  0.92  0.55  0.83  1.0
  Cl  Cl13  1  0.52  0.0  0.13  1.0
  Cl  Cl14  1  0.82  0.0  0.03  1.0
  O  O15  1  0.56  0.07  0.41  1.0
  O  O16  1  0.56  0.93  0.41  1.0
  O  O17  1  0.56  0.0  0.66  1.0
  O  O18  1  0.78  0.0  0.5  1.0
  O  O19  1  0.78  0.07  0.75  1.0
  O  O20  1  0.78  0.93  0.75  1.0

Co H H H H H H H H H H H H Cl Cl O O O O O O
Co H H H H H H H H H H H H Cl Cl O O O O O O 0 5 - o - 0 13 o o o 1 4 o o o 2 3 o o o 5 11 o o o 6 12 o o o 6 14 o o o 7 16 o + o 7 19 o o o 8 15 o + o 9 17 o o o 9 15 o o o 10 16 o o o 13 14 o o o 14 17 o o o 15 20 o - o 15 16 o o o 16 18 o o o 17 20 o - o 18 19 o - o 