data_[Zr2Pb4F16]
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 [C2/m]
_cell_length_a [15.8489]
_cell_length_b [3.9177]
_cell_length_c [5.5693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrPb2F8]
_chemical_formula_sum '[Zr2 Pb4 F16]'
_cell_volume [331.1518]
_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
[
  Zr  Zr0  2  0.0000  0.5000  0.0000  1
  Pb  Pb1  4  0.1671  0.0000  0.6439  1
  F  F2  4  0.0085  0.0000  0.8010  1
  F  F3  4  0.0910  0.5000  0.3583  1
  F  F4  4  0.1180  0.5000  0.9111  1
  F  F5  4  0.2322  0.0000  0.2963  1
]