data_[Na2Ce2Bi2]
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 [I4mm]
_cell_length_a [4.3222]
_cell_length_b [4.3222]
_cell_length_c [9.9251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [NaCeBi]
_chemical_formula_sum '[Na2 Ce2 Bi2]'
_cell_volume [185.4173]
_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  2  0.0000  0.0000  0.6135  1
  Ce  Ce1  2  0.0000  0.0000  0.2929  1
  Bi  Bi2  2  0.0000  0.0000  0.9437  1
]