data_[Cs4Pb6F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0548]
_cell_length_b [7.8527]
_cell_length_c [6.6178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Pb3F8]
_chemical_formula_sum '[Cs4 Pb6 F16]'
_cell_volume [681.2028]
_cell_formula_units_Z [2]
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  4  0.2174  0.5000  0.6617  1.0
  Pb  Pb1  4  0.0000  0.2591  0.0000  1.0
  Pb  Pb2  2  0.0000  0.0000  0.5000  1.0
  F  F3  8  0.1011  0.2141  0.3877  1.0
  F  F4  4  0.0937  0.0000  0.9042  1.0
  F  F5  4  0.0994  0.5000  0.9576  1.0
]