data_[Zr4Pb4F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [7.6831]
_cell_length_b [11.2639]
_cell_length_c [5.4687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [ZrPbF6]
_chemical_formula_sum '[Zr4 Pb4 F24]'
_cell_volume [473.2672]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  4  0.2500  0.0000  0.0000  1.0
  Pb  Pb1  4  0.0000  0.2500  0.5264  1.0
  F  F2  16  0.1878  0.1272  0.2574  1.0
  F  F3  8  0.0000  0.0735  0.8449  1.0
]