data_[Sn1Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3052]
_cell_length_b [6.7277]
_cell_length_c [7.5245]
_cell_angle_alpha [108.9845]
_cell_angle_beta [90.8463]
_cell_angle_gamma [98.4295]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SnHg8]
_chemical_formula_sum '[Sn1 Hg8]'
_cell_volume [250.6501]
_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
[
  Sn  Sn0  1  0.0000  0.0000  0.0000  1
  Hg  Hg1  2  0.1410  0.6428  0.3896  1
  Hg  Hg2  2  0.2798  0.6227  0.9548  1
  Hg  Hg3  2  0.2941  0.1309  0.7057  1
  Hg  Hg4  2  0.3733  0.2254  0.3289  1
]