data_[Ba2Ce2Ag2S8]
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 [P2_1/m]
_cell_length_a [7.2114]
_cell_length_b [5.5886]
_cell_length_c [9.0158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaCeAgS4]
_chemical_formula_sum '[Ba2 Ce2 Ag2 S8]'
_cell_volume [343.1980]
_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  2  0.2661  0.7500  0.0540  1.0
  Ce  Ce1  2  0.2742  0.7500  0.5611  1.0
  Ag  Ag2  2  0.2404  0.2500  0.3026  1.0
  S  S3  4  0.0375  0.0299  0.7151  1.0
  S  S4  2  0.4403  0.2500  0.5908  1.0
  S  S5  2  0.4560  0.2500  0.1403  1.0
]