data_[Cs2Ce2Ni2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/m]
_cell_length_a [6.7908]
_cell_length_b [5.6953]
_cell_length_c [9.6634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5453]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCeNiS4]
_chemical_formula_sum '[Cs2 Ce2 Ni2 S8]'
_cell_volume [361.7580]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  2  0.2471  0.7500  0.0440  1.0
  Ce  Ce1  2  0.2627  0.7500  0.5496  1.0
  Ni  Ni2  2  0.2345  0.2500  0.3365  1.0
  S  S3  4  0.0062  0.0099  0.6928  1.0
  S  S4  2  0.4004  0.2500  0.5631  1.0
  S  S5  2  0.4541  0.2500  0.2038  1.0
]