data_[Os4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.4522]
_cell_length_b [14.8742]
_cell_length_c [5.9820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [OsCl4]
_chemical_formula_sum '[Os4 Cl16]'
_cell_volume [573.6147]
_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
[
  Os  Os0  4  0.0000  0.0603  0.7500  1.0
  Cl  Cl1  8  0.2067  0.0578  0.2099  1.0
  Cl  Cl2  8  0.2147  0.1646  0.7323  1.0
]