data_[Na8Ce8Bi16]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.6067]
_cell_length_b [7.5226]
_cell_length_c [5.7472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCeBi2]
_chemical_formula_sum '[Na8 Ce8 Bi16]'
_cell_volume [965.3442]
_cell_formula_units_Z [8]
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  0.0595  0.0000  0.7413  1.0
  Na  Na1  4  0.1889  0.5000  0.2638  1.0
  Ce  Ce2  4  0.0649  0.5000  0.7633  1.0
  Ce  Ce3  4  0.1818  0.0000  0.2642  1.0
  Bi  Bi4  8  0.0633  0.2582  0.2548  1.0
  Bi  Bi5  8  0.1904  0.2499  0.7667  1.0
]