data_[Ba1Li1Pb2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  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 [4.4536]
_cell_length_b [5.8942]
_cell_length_c [8.0599]
_cell_angle_alpha [94.7589]
_cell_angle_beta [92.0281]
_cell_angle_gamma [91.3661]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaLiPb2F8]
_chemical_formula_sum '[Ba1 Li1 Pb2 F8]'
_cell_volume [210.6400]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.4335  0.4717  0.2327  1.0
  F  F3  2  0.0529  0.3790  0.7222  1.0
  F  F4  2  0.1064  0.1449  0.2038  1.0
  F  F5  2  0.3910  0.7216  0.0127  1.0
  F  F6  2  0.4784  0.7408  0.5170  1.0
]