data_Hg5(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.92
_cell_length_c   7.91
_cell_angle_alpha   89.46
_cell_angle_beta   89.89
_cell_angle_gamma   69.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg5(ClO)4
_chemical_formula_sum   'Hg5 Cl4 O4'
_cell_volume   317.39
_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
  Hg  Hg0  1  0.65  0.29  0.31  1.0
  Hg  Hg1  1  0.98  0.26  0.6  1.0
  Hg  Hg2  1  0.59  0.03  0.24  1.0
  Hg  Hg3  1  0.04  0.52  0.67  1.0
  Hg  Hg4  1  0.0  0.0  0.0  1.0
  Cl  Cl5  1  0.72  0.43  0.83  1.0
  Cl  Cl6  1  0.91  0.12  0.09  1.0
  Cl  Cl7  1  0.49  0.01  0.05  1.0
  Cl  Cl8  1  0.14  0.54  0.86  1.0
  O  O9  1  0.77  0.51  0.48  1.0
  O  O10  1  0.86  0.04  0.44  1.0
  O  O11  1  0.32  0.95  0.78  1.0
  O  O12  1  0.31  0.6  0.13  1.0

data_Hg5(ClO)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.19
_cell_length_b   6.92
_cell_length_c   7.91
_cell_angle_alpha   89.46
_cell_angle_beta   89.89
_cell_angle_gamma   69.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg5(ClO)4
_chemical_formula_sum   'Hg5 Cl4 O4'
_cell_volume   317.39
_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
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.04  0.52  0.67  1.0
  Hg  Hg2  1  0.59  0.03  0.24  1.0
  Hg  Hg3  1  0.65  0.29  0.31  1.0
  Hg  Hg4  1  0.98  0.26  0.6  1.0
  Cl  Cl5  1  0.14  0.54  0.86  1.0
  Cl  Cl6  1  0.49  0.01  0.05  1.0
  Cl  Cl7  1  0.72  0.43  0.83  1.0
  Cl  Cl8  1  0.91  0.12  0.09  1.0
  O  O9  1  0.31  0.6  0.13  1.0
  O  O10  1  0.32  0.95  0.78  1.0
  O  O11  1  0.77  0.51  0.48  1.0
  O  O12  1  0.86  0.04  0.44  1.0

Hg Hg Hg Hg Hg Cl Cl Cl Cl O O O O
Hg Hg Hg Hg Hg Cl Cl Cl Cl O O O O 0 2 o o o 0 6 o o o 0 10 o o o 0 9 o o o 0 12 o o o 1 10 o o o 1 9 o o o 1 5 o o o 1 3 + o o 1 11 + - o 2 7 o o o 2 10 o o o 3 8 o o o 3 5 - o o 3 9 - o o 4 6 - o o 4 11 o - - 4 12 o - o 5 6 o o + 5 9 o o o 5 8 + o o 7 11 o - - 8 12 o o + 