data_[Ba2Os2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.5784]
_cell_length_b [20.0630]
_cell_length_c [5.2690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [BaOsN3]
_chemical_formula_sum '[Ba2 Os2 N6]'
_cell_volume [586.9689]
_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
[
  Ba  Ba0  2  0.6050  0.4201  0.1919  1
  Os  Os1  2  0.0965  0.4453  0.6630  1
  N  N2  2  0.4136  0.4400  0.6630  1
  N  N3  2  0.9405  0.3738  0.5493  1
  N  N4  2  0.9795  0.4780  0.9681  1
]