data_[Ba8Pb4F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4180]
_cell_length_b [8.0763]
_cell_length_c [10.5240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba4Pb2F]
_chemical_formula_sum '[Ba8 Pb4 F2]'
_cell_volume [591.4784]
_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
[
  Ba  Ba0  4  0.2509  0.0000  0.7306  1.0
  Ba  Ba1  2  0.1744  0.7500  0.0665  1.0
  Ba  Ba2  2  0.2932  0.2500  0.3609  1.0
  Pb  Pb3  2  0.2038  0.7500  0.4193  1.0
  Pb  Pb4  2  0.3567  0.2500  0.0323  1.0
  F  F5  2  0.0726  0.7500  0.7955  1.0
]