data_MgHg3(Cl4O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   8.26
_cell_length_c   8.98
_cell_angle_alpha   79.55
_cell_angle_beta   87.5
_cell_angle_gamma   80.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgHg3(Cl4O3)2
_chemical_formula_sum   'Mg1 Hg3 Cl8 O6'
_cell_volume   457.43
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.37  0.79  0.42  1.0
  Hg  Hg2  1  0.45  0.21  0.17  1.0
  Hg  Hg3  1  0.59  0.53  0.66  1.0
  Cl  Cl4  1  0.45  0.5  0.54  1.0
  Cl  Cl5  1  0.59  0.25  0.29  1.0
  Cl  Cl6  1  0.11  0.69  0.52  1.0
  Cl  Cl7  1  0.93  0.06  0.31  1.0
  Cl  Cl8  1  0.59  0.47  0.42  1.0
  Cl  Cl9  1  0.45  0.27  0.41  1.0
  Cl  Cl10  1  0.15  0.3  0.79  1.0
  Cl  Cl11  1  0.89  0.44  0.04  1.0
  O  O12  1  0.94  0.05  0.56  1.0
  O  O13  1  0.1  0.69  0.27  1.0
  O  O14  1  0.4  0.96  0.27  1.0
  O  O15  1  0.64  0.78  0.56  1.0
  O  O16  1  0.05  0.22  0.12  1.0
  O  O17  1  0.99  0.53  0.71  1.0

data_MgHg3(Cl4O3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.35
_cell_length_b   8.26
_cell_length_c   8.98
_cell_angle_alpha   79.55
_cell_angle_beta   87.5
_cell_angle_gamma   80.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgHg3(Cl4O3)2
_chemical_formula_sum   'Mg1 Hg3 Cl8 O6'
_cell_volume   457.43
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.37  0.79  0.42  1.0
  Hg  Hg2  1  0.45  0.21  0.17  1.0
  Hg  Hg3  1  0.59  0.53  0.66  1.0
  Cl  Cl4  1  0.11  0.69  0.52  1.0
  Cl  Cl5  1  0.15  0.3  0.79  1.0
  Cl  Cl6  1  0.45  0.27  0.41  1.0
  Cl  Cl7  1  0.45  0.5  0.54  1.0
  Cl  Cl8  1  0.59  0.25  0.29  1.0
  Cl  Cl9  1  0.59  0.47  0.42  1.0
  Cl  Cl10  1  0.89  0.44  0.04  1.0
  Cl  Cl11  1  0.93  0.06  0.31  1.0
  O  O12  1  0.05  0.22  0.12  1.0
  O  O13  1  0.1  0.69  0.27  1.0
  O  O14  1  0.4  0.96  0.27  1.0
  O  O15  1  0.64  0.78  0.56  1.0
  O  O16  1  0.94  0.05  0.56  1.0
  O  O17  1  0.99  0.53  0.71  1.0

Mg Hg Hg Hg Cl Cl Cl Cl Cl Cl Cl Cl O O O O O O