data_[Ce16Te4As8S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.4599]
_cell_length_b [8.5525]
_cell_length_c [12.0341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Ce4TeAs2S]
_chemical_formula_sum '[Ce16 Te4 As8 S4]'
_cell_volume [870.7098]
_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  8  0.0000  0.0154  0.7478  1.0
  Ce  Ce1  8  0.2460  0.2500  0.5077  1.0
  Te  Te2  4  0.2500  0.2500  0.2500  1.0
  As  As3  4  0.0000  0.0000  0.0000  1.0
  As  As4  4  0.2500  0.2500  0.7500  1.0
  S  S5  4  0.0000  0.0000  0.5000  1.0
]