data_[Zr2Pb2F12]
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 [7.8723]
_cell_length_b [6.8325]
_cell_length_c [5.5457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrPbF6]
_chemical_formula_sum '[Zr2 Pb2 F12]'
_cell_volume [278.5003]
_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  0.0000  0.0000  1
  Pb  Pb1  2  0.0000  0.5000  0.5000  1
  F  F2  8  0.0711  0.2073  0.2849  1
  F  F3  4  0.2320  0.5000  0.9597  1
]