data_[Ce8Ni4Sb4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8073]
_cell_length_b [16.3722]
_cell_length_c [11.9017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2NiSbS5]
_chemical_formula_sum '[Ce8 Ni4 Sb4 S20]'
_cell_volume [741.8860]
_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  0.1165  0.3477  1.0
  Ce  Ce1  4  0.0000  0.1175  0.6943  1.0
  Ni  Ni2  4  0.0000  0.4393  0.4232  1.0
  Sb  Sb3  4  0.0000  0.1640  0.0274  1.0
  S  S4  4  0.0000  0.0067  0.0107  1.0
  S  S5  4  0.0000  0.2996  0.6973  1.0
  S  S6  4  0.0000  0.3121  0.3471  1.0
  S  S7  4  0.0000  0.3404  0.0209  1.0
  S  S8  4  0.0000  0.4954  0.7553  1.0
]