data_[Sn6Hg2Pb4]
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 [Pmma]
_cell_length_a [6.1930]
_cell_length_b [6.3708]
_cell_length_c [9.0420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Sn3HgPb2]
_chemical_formula_sum '[Sn6 Hg2 Pb4]'
_cell_volume [356.7470]
_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  0.2500  0.2455  0.7095  1.0
  Sn  Sn1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.2500  0.5000  0.4077  1.0
  Pb  Pb3  2  0.2500  0.0000  0.3519  1.0
  Pb  Pb4  2  0.2500  0.5000  0.0589  1.0
]