data_[K9Ce9Ni3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9593]
_cell_length_b [7.9593]
_cell_length_c [22.3174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3Ce3NiS8]
_chemical_formula_sum '[K9 Ce9 Ni3 S24]'
_cell_volume [1224.4104]
_cell_formula_units_Z [3]
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
[
  K  K0  9  0.0000  0.5000  0.0000  1.0
  Ce  Ce1  9  0.0000  0.5000  0.5000  1.0
  Ni  Ni2  3  -0.0000  -0.0000  0.5000  1.0
  S  S3  18  0.0201  0.5101  0.2273  1.0
  S  S4  6  0.0000  0.0000  0.2350  1.0
]