data_[Hg8Os12O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5883]
_cell_length_b [5.7480]
_cell_length_c [8.1300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg2Os3O10]
_chemical_formula_sum '[Hg8 Os12 O40]'
_cell_volume [789.0735]
_cell_formula_units_Z [4]
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
[
  Hg  Hg0  4  0.0822  0.5000  0.7271  1
  Hg  Hg1  4  0.1946  0.5000  0.3068  1
  Os  Os2  4  0.0000  0.2283  0.0000  1
  Os  Os3  4  0.0874  0.0000  0.4913  1
  Os  Os4  4  0.1847  0.0000  0.0140  1
  O  O5  8  0.1064  0.2344  0.0012  1
  O  O6  8  0.1418  0.2506  0.4849  1
  O  O7  4  0.0000  0.2111  0.5000  1
  O  O8  4  0.0265  0.5000  0.1641  1
  O  O9  4  0.0355  0.0000  0.2092  1
  O  O10  4  0.1329  0.0000  0.7423  1
  O  O11  4  0.2279  0.0000  0.2538  1
  O  O12  4  0.2500  0.2500  0.0000  1
]