data_[Rb3Pb1F6]
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 [6.7493]
_cell_length_b [6.7848]
_cell_length_c [6.8869]
_cell_angle_alpha [61.2372]
_cell_angle_beta [61.1157]
_cell_angle_gamma [60.5643]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb3PbF6]
_chemical_formula_sum '[Rb3 Pb1 F6]'
_cell_volume [227.8669]
_cell_formula_units_Z [1]
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  0.2586  0.2502  0.2223  1.0
  Rb  Rb1  1  0.5000  0.5000  0.5000  1.0
  Pb  Pb2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1638  0.6948  0.8538  1.0
  F  F4  2  0.2248  0.2082  0.6649  1.0
  F  F5  2  0.2992  0.8370  0.1554  1.0
]