data_[Sn2Hg12Pb10]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.8723]
_cell_length_b [10.6831]
_cell_length_c [10.9564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [SnHg6Pb5]
_chemical_formula_sum '[Sn2 Hg12 Pb10]'
_cell_volume [687.3425]
_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
[
  Sn  Sn0  2  0.0000  0.0000  0.0000  1
  Hg  Hg1  8  0.0000  0.1642  0.2476  1
  Hg  Hg2  4  0.0000  0.5000  0.2481  1
  Pb  Pb3  4  0.0000  0.3311  0.0000  1
  Pb  Pb4  4  0.0000  0.3362  0.5000  1
  Pb  Pb5  2  0.0000  0.0000  0.5000  1
]