data_Sr6Hg7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.95
_cell_length_b   11.95
_cell_length_c   11.95
_cell_angle_alpha   32.62
_cell_angle_beta   32.62
_cell_angle_gamma   32.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr6Hg7
_chemical_formula_sum   'Sr6 Hg7'
_cell_volume   440.91
_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
  Sr  Sr7  1  0.0  0.0  0.98  1.0
  Sr  Sr8  1  0.0  0.0  0.93  1.0
  Sr  Sr9  1  0.0  0.0  0.81  1.0
  Sr  Sr10  1  0.0  0.0  0.1  1.0
  Sr  Sr11  1  0.0  0.0  0.06  1.0
  Sr  Sr12  1  0.0  0.0  0.85  1.0
  Hg  Hg0  1  0.23  0.02  0.52  1.0
  Hg  Hg1  1  0.0  0.96  0.52  1.0
  Hg  Hg2  1  0.77  0.02  0.52  1.0
  Hg  Hg3  1  0.77  0.98  0.39  1.0
  Hg  Hg4  1  0.23  0.98  0.39  1.0
  Hg  Hg5  1  0.0  0.04  0.39  1.0
  Hg  Hg6  1  0.0  0.0  0.0  1.0

data_Sr6Hg7
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   11.95
_cell_angle_alpha   73.69
_cell_angle_beta   73.69
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr6Hg7
_chemical_formula_sum   'Sr6 Hg7'
_cell_volume   440.91
_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
  Sr  Sr0  1  0.0  0.02  0.98  1.0
  Sr  Sr1  1  0.0  0.07  0.93  1.0
  Sr  Sr2  1  0.0  0.15  0.85  1.0
  Sr  Sr3  1  0.0  0.19  0.81  1.0
  Sr  Sr4  1  0.0  0.9  0.1  1.0
  Sr  Sr5  1  0.0  0.94  0.06  1.0
  Hg  Hg6  1  0.0  0.0  0.0  1.0
  Hg  Hg7  1  0.02  0.61  0.13  1.0
  Hg  Hg8  1  0.02  0.61  0.59  1.0
  Hg  Hg9  1  0.04  0.48  0.48  1.0
  Hg  Hg10  1  0.96  0.61  0.43  1.0
  Hg  Hg11  1  0.98  0.48  0.32  1.0
  Hg  Hg12  1  0.98  0.48  0.77  1.0

Sr Sr Sr Sr Sr Sr Hg Hg Hg Hg Hg Hg Hg