data_[Na6Ca8Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7982]
_cell_length_b [8.9849]
_cell_length_c [18.1684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Na3(CaBi)4]
_chemical_formula_sum '[Na6 Ca8 Bi8]'
_cell_volume [783.2605]
_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  0.0000  0.0000  0.0885  1
  Na  Na1  2  0.0000  0.5000  0.0000  1
  Ca  Ca2  8  0.0000  0.2055  0.3342  1
  Bi  Bi3  4  0.0000  0.2939  0.5000  1
  Bi  Bi4  4  0.0000  0.5000  0.2314  1
]