data_[Os4N6Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [6.3149]
_cell_length_b [19.5336]
_cell_length_c [6.7878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Os2N3Cl]
_chemical_formula_sum '[Os4 N6 Cl2]'
_cell_volume [837.2967]
_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
[
  Os  Os0  4  0.2500  0.4329  0.9841  1
  N  N1  4  0.0000  0.3840  0.0000  1
  N  N2  2  0.2500  0.5000  0.1827  1
  Cl  Cl3  2  0.2500  0.5000  0.6840  1
]