data_[In2Pb2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  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 [4.3120]
_cell_length_b [5.5968]
_cell_length_c [7.9746]
_cell_angle_alpha [91.0924]
_cell_angle_beta [103.0315]
_cell_angle_gamma [91.5412]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [InPbF3]
_chemical_formula_sum '[In2 Pb2 F6]'
_cell_volume [187.3641]
_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
[
  In  In0  2  0.4404  0.1934  0.3920  1
  Pb  Pb1  2  0.0882  0.2961  0.8576  1
  F  F2  2  0.0762  0.7185  0.6544  1
  F  F3  2  0.3025  0.0551  0.1252  1
  F  F4  2  0.4295  0.5691  0.3304  1
]