data_[In2Pb2F8]
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 [5.9007]
_cell_length_b [6.0715]
_cell_length_c [7.3236]
_cell_angle_alpha [112.2457]
_cell_angle_beta [109.2650]
_cell_angle_gamma [96.7791]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [InPbF4]
_chemical_formula_sum '[In2 Pb2 F8]'
_cell_volume [220.2068]
_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  1  0.0000  0.0000  0.0000  1.0
  In  In1  1  0.5000  0.5000  0.0000  1.0
  Pb  Pb2  2  0.2455  0.7919  0.5238  1.0
  F  F3  2  0.0332  0.1045  0.7584  1.0
  F  F4  2  0.0394  0.6585  0.8054  1.0
  F  F5  2  0.3902  0.1532  0.1677  1.0
  F  F6  2  0.4546  0.2074  0.6210  1.0
]