data_[Ce16Sb4As8S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.5139]
_cell_length_b [8.5560]
_cell_length_c [12.0758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Ce4SbAs2S]
_chemical_formula_sum '[Ce16 Sb4 As8 S4]'
_cell_volume [879.6537]
_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  0.0122  0.2518  1.0
  Ce  Ce1  8  0.2472  0.2500  0.4939  1.0
  Sb  Sb2  4  0.2500  0.2500  0.7500  1.0
  As  As3  4  0.0000  0.0000  0.0000  1.0
  As  As4  4  0.2500  0.2500  0.2500  1.0
  S  S5  4  0.0000  0.0000  0.5000  1.0
]