data_[Sn6Hg2Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3504]
_cell_length_b [6.8524]
_cell_length_c [12.6746]
_cell_angle_alpha [74.3746]
_cell_angle_beta [88.2791]
_cell_angle_gamma [73.2040]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sn3HgSb2]
_chemical_formula_sum '[Sn6 Hg2 Sb4]'
_cell_volume [347.8853]
_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  0.1421  0.7390  0.9040  1
  Sn  Sn1  2  0.4382  0.7353  0.6032  1
  Sn  Sn2  2  0.4832  0.0967  0.8607  1
  Hg  Hg3  2  0.1212  0.3807  0.6192  1
  Sb  Sb4  2  0.2010  0.9743  0.3579  1
  Sb  Sb5  2  0.2277  0.5468  0.1501  1
]