data_[Ce8Ho4Ni4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ho  1.2300  1.7500  1.0410
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8213]
_cell_length_b [16.4083]
_cell_length_c [11.8017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2HoNiS5]
_chemical_formula_sum '[Ce8 Ho4 Ni4 S20]'
_cell_volume [739.9673]
_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  0.1109  0.3501  1.0
  Ce  Ce1  4  0.0000  0.1183  0.6970  1.0
  Ho  Ho2  4  0.0000  0.1763  0.0268  1.0
  Ni  Ni3  4  0.0000  0.4486  0.4176  1.0
  S  S4  4  0.0000  0.0135  0.0108  1.0
  S  S5  4  0.0000  0.3041  0.6904  1.0
  S  S6  4  0.0000  0.3153  0.3616  1.0
  S  S7  4  0.0000  0.3423  0.0214  1.0
  S  S8  4  0.0000  0.4959  0.7483  1.0
]