data_[Ba4Sb4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7321]
_cell_length_b [5.1376]
_cell_length_c [8.1567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2705]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSbN]
_chemical_formula_sum '[Ba4 Sb4 N4]'
_cell_volume [349.4288]
_cell_formula_units_Z [4]
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  4  0.0991  0.0000  0.7978  1
  Sb  Sb1  4  0.1781  0.5000  0.5214  1
  N  N2  4  0.0716  0.5000  0.0311  1
]