data_[Ce8In4Ag4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  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 [4.0158]
_cell_length_b [17.3693]
_cell_length_c [11.4027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2InAgS5]
_chemical_formula_sum '[Ce8 In4 Ag4 S20]'
_cell_volume [795.3707]
_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  0.1179  0.3035  1.0
  Ce  Ce1  4  0.0000  0.1251  0.6804  1.0
  In  In2  4  0.0000  0.4135  0.4785  1.0
  Ag  Ag3  4  0.0000  0.2291  0.0090  1.0
  S  S4  4  0.0000  0.0315  0.0765  1.0
  S  S5  4  0.0000  0.2999  0.3354  1.0
  S  S6  4  0.0000  0.3048  0.6616  1.0
  S  S7  4  0.0000  0.3713  0.9955  1.0
  S  S8  4  0.0000  0.4879  0.2836  1.0
]