data_[Ba24Sn4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.0243]
_cell_length_b [13.9273]
_cell_length_c [7.1069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba6SnN2]
_chemical_formula_sum '[Ba24 Sn4 N8]'
_cell_volume [1415.4380]
_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  0.1141  0.4002  0.5778  1.0
  Ba  Ba1  8  0.1284  0.0727  0.2457  1.0
  Ba  Ba2  8  0.2315  0.3618  0.1533  1.0
  Sn  Sn3  4  0.0000  0.1772  0.7500  1.0
  N  N4  8  0.2333  0.4920  0.8868  1.0
]