data_[Ba16Se4S8Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [9.1738]
_cell_length_b [9.2072]
_cell_length_c [12.9701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Ba4SeS2Cl]
_chemical_formula_sum '[Ba16 Se4 S8 Cl4]'
_cell_volume [1095.5141]
_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  0.0135  0.2532  1.0
  Ba  Ba1  8  0.2440  0.2500  0.4940  1.0
  Se  Se2  4  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0000  0.0000  0.5000  1.0
  S  S4  4  0.2500  0.2500  0.2500  1.0
  Cl  Cl5  4  0.2500  0.2500  0.7500  1.0
]