data_[K4Pb6F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [12.9253]
_cell_length_b [7.7466]
_cell_length_c [6.4267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Pb3F8]
_chemical_formula_sum '[K4 Pb6 F16]'
_cell_volume [595.9732]
_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
[
  K  K0  4  0.2160  0.5000  0.6449  1.0
  Pb  Pb1  4  0.0000  0.2619  0.0000  1.0
  Pb  Pb2  2  0.0000  0.0000  0.5000  1.0
  F  F3  8  0.1153  0.2154  0.4001  1.0
  F  F4  4  0.0975  0.5000  0.9093  1.0
  F  F5  4  0.1037  0.0000  0.9218  1.0
]