data_[Cs2Ce2Fe2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ce  1.1200  1.8500  1.0800
  Fe  1.8300  1.4000  0.8525
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5663]
_cell_length_b [6.4526]
_cell_length_c [9.5616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1222]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCeFeS4]
_chemical_formula_sum '[Cs2 Ce2 Fe2 S8]'
_cell_volume [385.0278]
_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
[
  Cs  Cs0  2  0.2612  0.7500  0.0572  1.0
  Ce  Ce1  2  0.2384  0.7500  0.5505  1.0
  Fe  Fe2  2  0.2178  0.2500  0.3405  1.0
  S  S3  4  0.0132  0.0096  0.6933  1.0
  S  S4  2  0.4181  0.2500  0.1940  1.0
  S  S5  2  0.4252  0.2500  0.5700  1.0
]