data_[Sn2Hg4O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6334]
_cell_length_b [3.3742]
_cell_length_c [5.4471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn(HgO2)2]
_chemical_formula_sum '[Sn2 Hg4 O8]'
_cell_volume [213.8623]
_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  0.1896  0.5000  0.7025  1
  O  O2  4  0.0539  0.5000  0.8317  1
  O  O3  4  0.1505  0.0000  0.3344  1
]