data_[Sn8Hg8O8]
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 [23.9373]
_cell_length_b [3.4649]
_cell_length_c [7.7893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SnHgO]
_chemical_formula_sum '[Sn8 Hg8 O8]'
_cell_volume [627.5086]
_cell_formula_units_Z [8]
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  0.1469  0.0000  0.7142  1.0
  Sn  Sn1  4  0.2282  0.0000  0.2854  1.0
  Hg  Hg2  4  0.0312  0.0000  0.3515  1.0
  Hg  Hg3  4  0.0755  0.0000  0.0153  1.0
  O  O4  4  0.1940  0.5000  0.8277  1.0
  O  O5  4  0.2206  0.0000  0.5866  1.0
]