data_[Ce4Sb4S2]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.0898]
_cell_length_b [6.2942]
_cell_length_c [8.4460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Ce2Sb2S]
_chemical_formula_sum '[Ce4 Sb4 S2]'
_cell_volume [318.7492]
_cell_formula_units_Z [2]
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  0.2124  0.1992  0.2631  1
  Sb  Sb1  4  0.1747  0.7055  0.1351  1
  S  S2  2  0.0000  0.4305  0.5000  1
]