data_[Ce8In4Ni4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  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 [3.8283]
_cell_length_b [15.9725]
_cell_length_c [11.8763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2InNiS5]
_chemical_formula_sum '[Ce8 In4 Ni4 S20]'
_cell_volume [726.2042]
_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  0.1153  0.3467  1.0
  Ce  Ce1  4  0.0000  0.1195  0.6976  1.0
  In  In2  4  0.0000  0.1700  0.0302  1.0
  Ni  Ni3  4  0.0000  0.4379  0.4251  1.0
  S  S4  4  0.0000  0.0065  0.0140  1.0
  S  S5  4  0.0000  0.3041  0.6875  1.0
  S  S6  4  0.0000  0.3077  0.3476  1.0
  S  S7  4  0.0000  0.3326  0.0185  1.0
  S  S8  4  0.0000  0.4976  0.7568  1.0
]