data_[Ba8Ce4Ag4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2085]
_cell_length_b [18.2623]
_cell_length_c [12.8772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2CeAgS5]
_chemical_formula_sum '[Ba8 Ce4 Ag4 S20]'
_cell_volume [989.7043]
_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  0.1158  0.6883  1.0
  Ba  Ba1  4  0.0000  0.1255  0.3226  1.0
  Ce  Ce2  4  0.0000  0.1995  0.0151  1.0
  Ag  Ag3  4  0.0000  0.4528  0.4461  1.0
  S  S4  4  0.0000  0.0460  0.0472  1.0
  S  S5  4  0.0000  0.2948  0.6552  1.0
  S  S6  4  0.0000  0.3073  0.3729  1.0
  S  S7  4  0.0000  0.3455  0.0076  1.0
  S  S8  4  0.0000  0.4974  0.7689  1.0
]