data_[Cs1As1Pb1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [6.6782]
_cell_length_b [6.6782]
_cell_length_c [4.9197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [CsAsPbF6]
_chemical_formula_sum '[Cs1 As1 Pb1 F6]'
_cell_volume [190.0156]
_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  0.3333  0.6667  0.9348  1.0
  As  As1  1  0.0000  0.0000  0.5408  1.0
  Pb  Pb2  1  0.6667  0.3333  0.4288  1.0
  F  F3  3  0.0558  0.8081  0.3213  1.0
  F  F4  3  0.3802  0.0963  0.7101  1.0
]