data_[Os4Cl12]
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/m]
_cell_length_a [6.2025]
_cell_length_b [9.6586]
_cell_length_c [6.7793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [OsCl3]
_chemical_formula_sum '[Os4 Cl12]'
_cell_volume [389.8681]
_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  0.1493  0.0000  1.0
  Cl  Cl1  8  0.2262  0.3302  0.1906  1.0
  Cl  Cl2  4  0.2339  0.0000  0.2425  1.0
]