data_[Rb96Pb24F40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [18.9645]
_cell_length_b [18.9645]
_cell_length_c [18.9645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Rb12Pb3F5]
_chemical_formula_sum '[Rb96 Pb24 F40]'
_cell_volume [6820.5988]
_cell_formula_units_Z [8]
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
[
  Rb  Rb0  96  0.0366  0.0461  0.6467  1
  Pb  Pb1  24  0.0000  0.2500  0.1250  1
  F  F2  24  0.0000  0.2500  0.3750  1
  F  F3  16  0.0000  0.0000  0.0000  1
]