data_[In2Pb1F8]
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 [4.2075]
_cell_length_b [5.9923]
_cell_length_c [6.2715]
_cell_angle_alpha [112.5688]
_cell_angle_beta [94.6426]
_cell_angle_gamma [96.1951]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [In2PbF8]
_chemical_formula_sum '[In2 Pb1 F8]'
_cell_volume [143.8637]
_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
[
  In  In0  2  0.0061  0.6748  0.3223  1.0
  Pb  Pb1  1  0.5000  0.0000  0.0000  1.0
  F  F2  2  0.0464  0.3176  0.0489  1.0
  F  F3  2  0.1020  0.0515  0.3393  1.0
  F  F4  2  0.2790  0.6188  0.6050  1.0
  F  F5  2  0.4907  0.2743  0.7601  1.0
]