data_[Os1I2Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.4176]
_cell_length_b [8.4415]
_cell_length_c [18.9051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [96.3794]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [OsI2Cl3]
_chemical_formula_sum '[Os1 I2 Cl3]'
_cell_volume [542.0188]
_cell_formula_units_Z [1]
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  1  0.2423  0.7413  0.5199  1
  I  I1  1  0.2702  0.9304  0.4166  1
  I  I2  1  0.2984  0.9479  0.6232  1
  Cl  Cl3  1  0.1944  0.5534  0.4262  1
  Cl  Cl4  1  0.2268  0.2137  0.4391  1
  Cl  Cl5  1  0.7010  0.5872  0.5750  1
]