data_[Cs1Sc1Pb2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sc  1.3600  1.6000  0.8850
  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 [5.2078]
_cell_length_b [5.7638]
_cell_length_c [8.0684]
_cell_angle_alpha [93.0882]
_cell_angle_beta [98.6793]
_cell_angle_gamma [99.0622]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsScPb2F8]
_chemical_formula_sum '[Cs1 Sc1 Pb2 F8]'
_cell_volume [235.6787]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Sc  Sc1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.4352  0.5128  0.2451  1.0
  F  F3  2  0.0068  0.2607  0.1905  1.0
  F  F4  2  0.1726  0.8117  0.1784  1.0
  F  F5  2  0.3418  0.2058  0.9672  1.0
  F  F6  2  0.4375  0.7133  0.5109  1.0
]