data_[Ba8N8Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.6825]
_cell_length_b [4.3833]
_cell_length_c [7.2851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2N2Cl]
_chemical_formula_sum '[Ba8 N8 Cl4]'
_cell_volume [490.5183]
_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  0.1454  0.2919  0.1492  1.0
  N  N1  8  0.2262  0.1431  0.5241  1.0
  Cl  Cl2  4  0.0000  0.2204  0.7500  1.0
]