data_[Ba8S4Cl2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4380]
_cell_length_b [4.3355]
_cell_length_c [8.8485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba4S2ClO2]
_chemical_formula_sum '[Ba8 S4 Cl2 O4]'
_cell_volume [579.0087]
_cell_formula_units_Z [2]
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  0.0185  0.5000  0.2919  1
  Ba  Ba1  4  0.2366  0.0000  0.3068  1
  S  S2  4  0.0949  0.0000  0.6271  1
  Cl  Cl3  2  0.0000  0.0000  0.0000  1
  O  O4  4  0.1741  0.5000  0.3612  1
]