data_[Ce8Ga4Ag4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  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 [3.8792]
_cell_length_b [17.5615]
_cell_length_c [11.3845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2GaAgS5]
_chemical_formula_sum '[Ce8 Ga4 Ag4 S20]'
_cell_volume [775.5666]
_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  0.1203  0.6805  1.0
  Ce  Ce1  4  0.0000  0.1268  0.3011  1.0
  Ga  Ga2  4  0.0000  0.4336  0.4523  1.0
  Ag  Ag3  4  0.0000  0.2280  0.0233  1.0
  S  S4  4  0.0000  0.0405  0.0607  1.0
  S  S5  4  0.0000  0.2911  0.6795  1.0
  S  S6  4  0.0000  0.3194  0.3560  1.0
  S  S7  4  0.0000  0.3696  0.9949  1.0
  S  S8  4  0.0000  0.4984  0.2757  1.0
]