data_[Na6Ce6Pd2S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ce  1.1200  1.8500  1.0800
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7348]
_cell_length_b [7.9809]
_cell_length_c [8.1584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Ce3PdS8]
_chemical_formula_sum '[Na6 Ce6 Pd2 S16]'
_cell_volume [734.7455]
_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
[
  Na  Na0  4  0.2500  0.2500  0.0000  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Ce  Ce2  4  0.2500  0.2500  0.5000  1.0
  Ce  Ce3  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd4  2  0.0000  0.0000  0.5000  1.0
  S  S5  8  0.0082  0.2449  0.2801  1.0
  S  S6  4  0.2191  0.0000  0.7071  1.0
  S  S7  4  0.2451  0.5000  0.7344  1.0
]