data_[Ce8Ag4Sn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9875]
_cell_length_b [16.9670]
_cell_length_c [12.0582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2AgSnS5]
_chemical_formula_sum '[Ce8 Ag4 Sn4 S20]'
_cell_volume [815.7960]
_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
[
  Ce  Ce0  4  0.0000  0.1107  0.3080  1
  Ce  Ce1  4  0.0000  0.1343  0.6818  1
  Ag  Ag2  4  0.0000  0.2198  0.9422  1
  Sn  Sn3  4  0.0000  0.4082  0.4990  1
  S  S4  4  0.0000  0.0205  0.0961  1
  S  S5  4  0.0000  0.2849  0.3088  1
  S  S6  4  0.0000  0.3180  0.6817  1
  S  S7  4  0.0000  0.3596  0.0063  1
  S  S8  4  0.0000  0.4814  0.2999  1
]