data_[Sr11Hg54]
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 [P-6]
_cell_length_a [13.6445]
_cell_length_b [13.6445]
_cell_length_c [11.2143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Sr11Hg54]
_chemical_formula_sum '[Sr11 Hg54]'
_cell_volume [1808.0978]
_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  3  0.0498  0.5878  0.5000  1
  Sr  Sr1  3  0.1252  0.4295  0.0000  1
  Sr  Sr2  3  0.2495  0.0451  0.5000  1
  Sr  Sr3  2  0.6667  0.3333  0.8163  1
  Hg  Hg4  6  0.0474  0.8060  0.3538  1
  Hg  Hg5  6  0.0993  0.6401  0.1747  1
  Hg  Hg6  6  0.1741  0.4520  0.3520  1
  Hg  Hg7  6  0.1950  0.0190  0.1843  1
  Hg  Hg8  6  0.4162  0.2682  0.2819  1
  Hg  Hg9  6  0.4504  0.0603  0.2622  1
  Hg  Hg10  3  0.0112  0.7795  0.0000  1
  Hg  Hg11  3  0.4012  0.1517  0.0000  1
  Hg  Hg12  3  0.5079  0.4004  0.0000  1
  Hg  Hg13  3  0.5459  0.1987  0.5000  1
  Hg  Hg14  2  0.0000  0.0000  0.3549  1
  Hg  Hg15  2  0.3333  0.6667  0.8463  1
  Hg  Hg16  1  0.0000  0.0000  0.0000  1
  Hg  Hg17  1  0.3333  0.6667  0.5000  1
]