data_[Os4C6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0411]
_cell_length_b [3.3424]
_cell_length_c [5.0867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7015]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Os2(CN2)3]
_chemical_formula_sum '[Os4 C6 N12]'
_cell_volume [289.6048]
_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  0.1796  0.0000  0.4187  1
  C  C1  4  0.1816  0.5000  0.9302  1
  C  C2  2  0.0000  0.0000  0.5000  1
  N  N3  4  0.0713  0.0000  0.4836  1
  N  N4  4  0.1689  0.5000  0.1668  1
  N  N5  4  0.1995  0.5000  0.6922  1
]