data_[Cs2K1Pb1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.2433]
_cell_length_b [8.3697]
_cell_length_c [6.2674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cs2KPbF8]
_chemical_formula_sum '[Cs2 K1 Pb1 F8]'
_cell_volume [273.7244]
_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  2  0.5000  0.2434  0.5000  1.0
  K  K1  1  0.0000  0.5000  0.0000  1.0
  Pb  Pb2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0770  0.1894  0.7883  1.0
  F  F4  2  0.3623  0.0000  0.1742  1.0
  F  F5  2  0.4977  0.5000  0.8401  1.0
]