data_[Na16Os16N32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [5.7675]
_cell_length_b [11.4327]
_cell_length_c [14.8684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [NaOsN2]
_chemical_formula_sum '[Na16 Os16 N32]'
_cell_volume [980.3926]
_cell_formula_units_Z [16]
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
[
  Na  Na0  8  0.2215  0.5317  0.9415  1
  Na  Na1  8  0.2227  0.7427  0.8125  1
  Os  Os2  8  0.1806  0.0211  0.1882  1
  Os  Os3  8  0.2294  0.7214  0.5645  1
  N  N4  8  0.0890  0.2373  0.9644  1
  N  N5  8  0.1318  0.0209  0.7884  1
  N  N6  8  0.1834  0.1833  0.1633  1
  N  N7  8  0.2056  0.0607  0.5873  1
]