data_[Cs36Bi3F18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [17.2515]
_cell_length_b [17.2515]
_cell_length_c [11.6441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cs12BiF6]
_chemical_formula_sum '[Cs36 Bi3 F18]'
_cell_volume [3001.1486]
_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  18  0.0132  0.7730  0.9136  1
  Cs  Cs1  18  0.0200  0.1620  0.6896  1
  Bi  Bi2  3  0.0000  0.0000  0.0000  1
  F  F3  18  0.0231  0.5419  0.3646  1
]