data_[Ba16Sb4N4]
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/c]
_cell_length_a [9.4434]
_cell_length_b [16.4098]
_cell_length_c [8.8699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4SbN]
_chemical_formula_sum '[Ba16 Sb4 N4]'
_cell_volume [1180.2698]
_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  8  0.1652  0.7787  0.6621  1.0
  Ba  Ba1  8  0.2042  0.9539  0.0113  1.0
  Sb  Sb2  4  0.0000  0.1281  0.7500  1.0
  N  N3  4  0.0000  0.1302  0.2500  1.0
]