data_[Na18Bi3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Bi  2.0200  1.6000  1.0350
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.2591]
_cell_length_b [10.2591]
_cell_length_c [9.7990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na6BiF12]
_chemical_formula_sum '[Na18 Bi3 F36]'
_cell_volume [893.1655]
_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  18  0.0171  0.7846  0.6288  1.0
  Bi  Bi1  3  0.0000  0.0000  0.0000  1.0
  F  F2  18  0.0149  0.7927  0.3944  1.0
  F  F3  18  0.0176  0.8443  0.8813  1.0
]