data_[Fe4Os2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Os  2.2000  1.3000  0.6730
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2703]
_cell_length_b [7.7119]
_cell_length_c [5.9064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe2OsCl8]
_chemical_formula_sum '[Fe4 Os2 Cl16]'
_cell_volume [649.8775]
_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
[
  Fe  Fe0  4  0.1475  0.0000  0.3917  1
  Os  Os1  2  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.0683  0.2255  0.2284  1
  Cl  Cl3  4  0.1365  0.0000  0.7784  1
  Cl  Cl4  4  0.2039  0.5000  0.6661  1
]