data_[Sn2Hg10Pb4]
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 [8.0130]
_cell_length_b [10.2135]
_cell_length_c [6.4755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SnHg5Pb2]
_chemical_formula_sum '[Sn2 Hg10 Pb4]'
_cell_volume [438.0503]
_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  4  0.2500  0.2500  0.0000  1
  Hg  Hg2  2  0.0000  0.0000  0.5000  1
  Hg  Hg3  2  0.0000  0.5000  0.0000  1
  Hg  Hg4  2  0.0000  0.5000  0.5000  1
  Pb  Pb5  4  0.2500  0.2500  0.5000  1
]