data_[Rb4Pb4F12]
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 [P-1]
_cell_length_a [4.6851]
_cell_length_b [4.9480]
_cell_length_c [17.8362]
_cell_angle_alpha [89.0106]
_cell_angle_beta [84.7933]
_cell_angle_gamma [89.9141]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbPbF3]
_chemical_formula_sum '[Rb4 Pb4 F12]'
_cell_volume [411.7146]
_cell_formula_units_Z [4]
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  2  0.1829  0.1908  0.6788  1
  Rb  Rb1  2  0.3225  0.6730  0.8159  1
  Pb  Pb2  2  0.2438  0.8220  0.0721  1
  Pb  Pb3  2  0.2511  0.2914  0.4330  1
  F  F4  2  0.2182  0.8199  0.1962  1
  F  F5  2  0.2372  0.6950  0.5986  1
  F  F6  2  0.2391  0.3336  0.0854  1
  F  F7  2  0.2569  0.1564  0.8960  1
  F  F8  2  0.2575  0.8036  0.4182  1
  F  F9  2  0.2920  0.3111  0.3096  1
]