data_[Na6Ce6Au2Se16]
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
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2044]
_cell_length_b [8.4863]
_cell_length_c [8.4288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Ce3AuSe8]
_chemical_formula_sum '[Na6 Ce6 Au2 Se16]'
_cell_volume [840.4499]
_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
  Na  Na1  2  0.0000  0.0000  0.0000  1
  Ce  Ce2  4  0.2500  0.2500  0.5000  1
  Ce  Ce3  2  0.0000  0.5000  0.5000  1
  Au  Au4  2  0.0000  0.0000  0.5000  1
  Se  Se5  8  0.0094  0.2679  0.2615  1
  Se  Se6  4  0.2199  0.0000  0.7102  1
  Se  Se7  4  0.2476  0.5000  0.7376  1
]