data_[Sn4Hg4Pb14]
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 [C2/m]
_cell_length_a [9.1785]
_cell_length_b [9.9793]
_cell_length_c [7.7613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn2Hg2Pb7]
_chemical_formula_sum '[Sn4 Hg4 Pb14]'
_cell_volume [686.5532]
_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  4  0.0000  0.2462  0.5000  1.0
  Hg  Hg1  4  0.1928  0.0000  0.4806  1.0
  Pb  Pb2  8  0.1771  0.2851  0.1836  1.0
  Pb  Pb3  4  0.1031  0.5000  0.8026  1.0
  Pb  Pb4  2  0.0000  0.0000  0.0000  1.0
]