data_[Ba4C8S8N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.7739]
_cell_length_b [6.8179]
_cell_length_c [8.7430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaC2(SN)2]
_chemical_formula_sum '[Ba4 C8 S8 N8]'
_cell_volume [641.8265]
_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  0.0000  0.1013  0.2500  1.0
  C  C1  8  0.1220  0.3585  0.6050  1.0
  S  S2  8  0.2017  0.4563  0.1724  1.0
  N  N3  8  0.0644  0.2213  0.5568  1.0
]