data_[Sr26Hg116]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [17.0773]
_cell_length_b [17.0773]
_cell_length_c [15.7747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Sr13Hg58]
_chemical_formula_sum '[Sr26 Hg116]'
_cell_volume [3984.1213]
_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
[
  Sr  Sr0  12  0.2076  0.4153  0.0574  1
  Sr  Sr1  6  0.0814  0.5407  0.7500  1
  Sr  Sr2  6  0.1248  0.2496  0.7500  1
  Sr  Sr3  2  0.0000  0.0000  0.0000  1
  Hg  Hg4  24  0.0397  0.3651  0.6051  1
  Hg  Hg5  12  0.0000  0.1994  0.0000  1
  Hg  Hg6  12  0.0795  0.3514  0.2500  1
  Hg  Hg7  12  0.0931  0.1863  0.1560  1
  Hg  Hg8  12  0.1244  0.5622  0.1486  1
  Hg  Hg9  12  0.1998  0.5999  0.5559  1
  Hg  Hg10  12  0.2341  0.4682  0.6597  1
  Hg  Hg11  6  0.0000  0.5000  0.0000  1
  Hg  Hg12  6  0.2662  0.7338  0.2500  1
  Hg  Hg13  4  0.3333  0.6667  0.4075  1
  Hg  Hg14  2  0.0000  0.0000  0.2500  1
  Hg  Hg15  2  0.3333  0.6667  0.7500  1
]