data_[Ce4In4Ag4S16]
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 [Imma]
_cell_length_a [7.7241]
_cell_length_b [8.1606]
_cell_length_c [11.0937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CeInAgS4]
_chemical_formula_sum '[Ce4 In4 Ag4 S16]'
_cell_volume [699.2694]
_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  0.0000  0.0000  1.0
  In  In1  4  0.2500  0.2500  0.2500  1.0
  Ag  Ag2  4  0.0000  0.2500  0.6367  1.0
  S  S3  8  0.0000  0.0284  0.2498  1.0
  S  S4  8  0.2345  0.2500  0.0026  1.0
]