data_[Ba16Sb4S4Cl8]
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
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [9.2729]
_cell_length_b [9.6147]
_cell_length_c [13.3336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Ba4SbSCl2]
_chemical_formula_sum '[Ba16 Sb4 S4 Cl8]'
_cell_volume [1188.7775]
_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  0.0000  0.0184  0.2495  1
  Ba  Ba1  8  0.2498  0.2500  0.4922  1
  Sb  Sb2  4  0.0000  0.0000  0.0000  1
  S  S3  4  0.2500  0.2500  0.2500  1
  Cl  Cl4  4  0.0000  0.0000  0.5000  1
  Cl  Cl5  4  0.2500  0.2500  0.7500  1
]