data_[Ce4Ag8As4S16]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [8.2449]
_cell_length_b [10.0469]
_cell_length_c [9.2574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [CeAg2AsS4]
_chemical_formula_sum '[Ce4 Ag8 As4 S16]'
_cell_volume [766.8388]
_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  0.5357  1.0
  Ag  Ag1  4  0.0000  0.0000  0.9106  1.0
  Ag  Ag2  4  0.2500  0.7245  0.6718  1.0
  As  As3  4  0.2500  0.2143  0.2178  1.0
  S  S4  8  0.0385  0.2151  0.0515  1.0
  S  S5  4  0.2500  0.5063  0.8196  1.0
  S  S6  4  0.2500  0.5205  0.2395  1.0
]