data_[Ba6Na1N1O1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.3248]
_cell_length_b [7.4872]
_cell_length_c [9.8062]
_cell_angle_alpha [67.8763]
_cell_angle_beta [85.7516]
_cell_angle_gamma [77.9941]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ba6NaNO]
_chemical_formula_sum '[Ba6 Na1 N1 O1]'
_cell_volume [487.2912]
_cell_formula_units_Z [1]
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  1  0.2602  0.5497  0.3271  1
  Ba  Ba1  1  0.2651  0.8799  0.6732  1
  Ba  Ba2  1  0.3473  0.3220  0.9928  1
  Ba  Ba3  1  0.6695  0.6666  0.9979  1
  Ba  Ba4  1  0.7337  0.4568  0.6622  1
  Ba  Ba5  1  0.7338  0.1185  0.3394  1
  Na  Na6  1  0.9864  0.0126  0.0029  1
  N  N7  1  0.5029  0.5936  0.8103  1
  O  O8  1  0.5009  0.4002  0.1940  1
]