data_[Os3S6Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.7046]
_cell_length_b [10.7046]
_cell_length_c [17.2711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Os(SCl6)2]
_chemical_formula_sum '[Os3 S6 Cl36]'
_cell_volume [1713.9303]
_cell_formula_units_Z [3]
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
[
  Os  Os0  3  0.0000  0.0000  0.0000  1.0
  S  S1  6  0.0000  0.0000  0.2087  1.0
  Cl  Cl2  18  0.0983  0.1967  0.7372  1.0
  Cl  Cl3  18  0.1025  0.2051  0.0794  1.0
]