data_[Na3Ca24Bi18]
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 [R-3]
_cell_length_a [9.4615]
_cell_length_b [9.4615]
_cell_length_c [20.4837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na(Ca4Bi3)2]
_chemical_formula_sum '[Na3 Ca24 Bi18]'
_cell_volume [1588.0237]
_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
[
  Na  Na0  3  0.0000  0.0000  0.0000  1.0
  Ca  Ca1  18  0.0038  0.3204  0.1010  1.0
  Ca  Ca2  6  0.0000  0.0000  0.3324  1.0
  Bi  Bi3  18  0.0030  0.3473  0.9275  1.0
]