data_CsHg5Cl11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84
_cell_length_b   9.84
_cell_length_c   7.22
_cell_angle_alpha   106.52
_cell_angle_beta   106.52
_cell_angle_gamma   105.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsHg5Cl11
_chemical_formula_sum   'Cs1 Hg5 Cl11'
_cell_volume   593.97
_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
  Cs  Cs0  1  0.3  0.0  0.19  1.0
  Hg  Hg1  1  0.85  0.41  0.35  1.0
  Hg  Hg2  1  0.26  0.0  0.19  1.0
  Hg  Hg3  1  0.66  0.59  0.02  1.0
  Hg  Hg4  1  0.66  0.41  0.02  1.0
  Hg  Hg5  1  0.85  0.59  0.35  1.0
  Cl  Cl6  1  0.7  0.06  0.31  1.0
  Cl  Cl7  1  0.22  0.65  0.18  1.0
  Cl  Cl8  1  0.22  0.35  0.18  1.0
  Cl  Cl9  1  0.0  0.0  0.0  1.0
  Cl  Cl10  1  0.29  0.35  0.19  1.0
  Cl  Cl11  1  0.7  0.94  0.31  1.0
  Cl  Cl12  1  0.94  0.0  0.86  1.0
  Cl  Cl13  1  0.57  0.0  0.52  1.0
  Cl  Cl14  1  0.82  0.06  0.06  1.0
  Cl  Cl15  1  0.29  0.65  0.19  1.0
  Cl  Cl16  1  0.82  0.94  0.06  1.0

data_CsHg5Cl11
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.22
_cell_length_b   9.84
_cell_length_c   9.84
_cell_angle_alpha   105.52
_cell_angle_beta   106.52
_cell_angle_gamma   106.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsHg5Cl11
_chemical_formula_sum   'Cs1 Hg5 Cl11'
_cell_volume   593.97
_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
  Cs  Cs0  1  0.19  0.3  0.0  1.0
  Hg  Hg1  1  0.02  0.66  0.59  1.0
  Hg  Hg2  1  0.02  0.66  0.41  1.0
  Hg  Hg3  1  0.19  0.26  0.0  1.0
  Hg  Hg4  1  0.35  0.85  0.41  1.0
  Hg  Hg5  1  0.35  0.85  0.59  1.0
  Cl  Cl6  1  0.0  0.0  0.0  1.0
  Cl  Cl7  1  0.06  0.82  0.06  1.0
  Cl  Cl8  1  0.06  0.82  0.94  1.0
  Cl  Cl9  1  0.18  0.22  0.65  1.0
  Cl  Cl10  1  0.18  0.22  0.35  1.0
  Cl  Cl11  1  0.19  0.29  0.65  1.0
  Cl  Cl12  1  0.19  0.29  0.35  1.0
  Cl  Cl13  1  0.31  0.7  0.06  1.0
  Cl  Cl14  1  0.31  0.7  0.94  1.0
  Cl  Cl15  1  0.52  0.57  0.0  1.0
  Cl  Cl16  1  0.86  0.94  0.0  1.0

Cs Hg Hg Hg Hg Hg Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl