data_[K1Sc1Pb1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P3]
_cell_length_a [5.9668]
_cell_length_b [5.9668]
_cell_length_c [4.5714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [KScPbF6]
_chemical_formula_sum '[K1 Sc1 Pb1 F6]'
_cell_volume [140.9478]
_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
[
  K  K0  1  0.6667  0.3333  0.8281  1.0
  Sc  Sc1  1  0.3333  0.6667  0.5675  1.0
  Pb  Pb2  1  0.0000  0.0000  0.1880  1.0
  F  F3  3  0.0128  0.5860  0.3313  1.0
  F  F4  3  0.1093  0.3330  0.8074  1.0
]