data_[Sr8Ce4Ni4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [Cmc2_1]
_cell_length_a [4.0274]
_cell_length_b [17.3984]
_cell_length_c [12.2702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2CeNiS5]
_chemical_formula_sum '[Sr8 Ce4 Ni4 S20]'
_cell_volume [859.7726]
_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
[
  Sr  Sr0  4  0.0000  0.1143  0.3442  1.0
  Sr  Sr1  4  0.0000  0.1176  0.6947  1.0
  Ce  Ce2  4  0.0000  0.1949  0.0279  1.0
  Ni  Ni3  4  0.0000  0.4384  0.4251  1.0
  S  S4  4  0.0000  0.0382  0.9947  1.0
  S  S5  4  0.0000  0.3034  0.6788  1.0
  S  S6  4  0.0000  0.3118  0.3740  1.0
  S  S7  4  0.0000  0.3483  0.0184  1.0
  S  S8  4  0.0000  0.4996  0.2661  1.0
]