data_[Ce8Ni4Rh4S20]
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
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8384]
_cell_length_b [16.4713]
_cell_length_c [10.8566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2NiRhS5]
_chemical_formula_sum '[Ce8 Ni4 Rh4 S20]'
_cell_volume [686.3986]
_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  0.1078  0.7013  1.0
  Ce  Ce1  4  0.0000  0.1321  0.3012  1.0
  Ni  Ni2  4  0.0000  0.4313  0.4465  1.0
  Rh  Rh3  4  0.0000  0.2033  0.0190  1.0
  S  S4  4  0.0000  0.0584  0.0477  1.0
  S  S5  4  0.0000  0.2800  0.6585  1.0
  S  S6  4  0.0000  0.3060  0.3665  1.0
  S  S7  4  0.0000  0.3525  0.0038  1.0
  S  S8  4  0.0000  0.4954  0.7795  1.0
]