data_Rb3Hg20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.55
_cell_length_b   11.55
_cell_length_c   11.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3Hg20
_chemical_formula_sum   'Rb6 Hg40'
_cell_volume   1539.91
_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
  Rb  Rb0  1  0.77  0.66  0.0  1.0
  Rb  Rb1  1  0.77  0.89  0.0  1.0
  Rb  Rb2  1  0.0  0.77  0.89  1.0
  Rb  Rb3  1  0.0  0.77  0.66  1.0
  Rb  Rb4  1  0.89  0.0  0.77  1.0
  Rb  Rb5  1  0.66  0.0  0.77  1.0
  Hg  Hg6  1  0.0  0.55  0.96  1.0
  Hg  Hg7  1  1.0  0.96  0.0  1.0
  Hg  Hg8  1  0.55  0.59  0.0  1.0
  Hg  Hg9  1  0.77  0.73  0.33  1.0
  Hg  Hg10  1  0.33  0.77  0.73  1.0
  Hg  Hg11  1  0.22  0.77  0.73  1.0
  Hg  Hg12  1  0.77  0.81  0.22  1.0
  Hg  Hg13  1  0.22  0.77  0.81  1.0
  Hg  Hg14  1  0.77  0.81  0.33  1.0
  Hg  Hg15  1  0.77  0.73  0.22  1.0
  Hg  Hg16  1  0.33  0.77  0.81  1.0
  Hg  Hg17  1  0.73  0.22  0.77  1.0
  Hg  Hg18  1  0.81  0.33  0.77  1.0
  Hg  Hg19  1  0.81  0.22  0.77  1.0
  Hg  Hg20  1  0.55  0.96  0.0  1.0
  Hg  Hg21  1  1.0  0.59  0.0  1.0
  Hg  Hg22  1  0.0  1.0  0.96  1.0
  Hg  Hg23  1  0.0  1.0  0.59  1.0
  Hg  Hg24  1  0.59  0.0  0.55  1.0
  Hg  Hg25  1  0.59  0.0  1.0  1.0
  Hg  Hg26  1  0.66  0.66  0.66  1.0
  Hg  Hg27  1  0.89  0.66  0.89  1.0
  Hg  Hg28  1  0.89  0.89  0.66  1.0
  Hg  Hg29  1  0.66  0.89  0.89  1.0
  Hg  Hg30  1  0.89  0.89  0.89  1.0
  Hg  Hg31  1  0.66  0.89  0.66  1.0
  Hg  Hg32  1  0.66  0.66  0.89  1.0
  Hg  Hg33  1  0.89  0.66  0.66  1.0
  Hg  Hg34  1  0.66  0.77  0.0  1.0
  Hg  Hg35  1  0.89  0.77  0.0  1.0
  Hg  Hg36  1  0.77  0.0  0.66  1.0
  Hg  Hg37  1  0.77  0.0  0.89  1.0
  Hg  Hg38  1  0.0  0.89  0.77  1.0
  Hg  Hg39  1  0.0  0.66  0.77  1.0
  Hg  Hg40  1  0.0  0.55  0.59  1.0
  Hg  Hg41  1  0.96  0.0  1.0  1.0
  Hg  Hg42  1  0.96  0.0  0.55  1.0
  Hg  Hg43  1  0.73  0.33  0.77  1.0
  Hg  Hg44  1  0.0  0.0  0.0  1.0
  Hg  Hg45  1  0.77  0.77  0.77  1.0

data_Rb3Hg20
_symmetry_space_group_name_H-M   R3
_cell_length_a   16.33
_cell_length_b   16.33
_cell_length_c   20.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Rb3Hg20
_chemical_formula_sum   'Rb18 Hg120'
_cell_volume   4619.73
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Rb  Rb0  9  0.0  0.11  0.89  1.0
  Rb  Rb1  9  0.18  0.7  0.48  1.0
  Hg  Hg2  9  0.0  0.89  0.89  1.0
  Hg  Hg3  9  0.01  0.99  0.99  1.0
  Hg  Hg4  9  0.02  0.49  0.3  1.0
  Hg  Hg5  9  0.05  0.5  0.5  1.0
  Hg  Hg6  9  0.05  0.54  0.28  1.0
  Hg  Hg7  9  0.06  0.53  0.53  1.0
  Hg  Hg8  9  0.08  0.92  0.81  1.0
  Hg  Hg9  9  0.15  0.08  0.74  1.0
  Hg  Hg10  9  0.16  0.8  0.58  1.0
  Hg  Hg11  9  0.17  0.38  0.6  1.0
  Hg  Hg12  9  0.17  0.38  0.38  1.0
  Hg  Hg13  9  0.18  0.48  0.48  1.0
  Hg  Hg14  3  0.0  0.0  0.0  1.0
  Hg  Hg15  3  0.0  0.0  0.66  1.0
  Hg  Hg16  3  0.0  0.0  0.77  1.0
  Hg  Hg17  3  0.0  0.0  0.89  1.0

Rb Rb Rb Rb Rb Rb Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg