data_[Cs3Na6Bi3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.5574]
_cell_length_b [5.5574]
_cell_length_c [20.8632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CsNa2Bi]
_chemical_formula_sum '[Cs3 Na6 Bi3]'
_cell_volume [558.0321]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5109  1.0
  Na  Na1  3  0.0000  0.0000  0.6905  1.0
  Na  Na2  3  0.0000  0.0000  0.9843  1.0
  Bi  Bi3  3  0.0000  0.0000  0.3143  1.0
]