data_[Fe2Pb4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9565]
_cell_length_b [6.6618]
_cell_length_c [9.4721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [FePb2F6]
_chemical_formula_sum '[Fe2 Pb4 F12]'
_cell_volume [311.6869]
_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
[
  Fe  Fe0  2  0.5000  0.0000  0.5000  1.0
  Pb  Pb1  4  0.2404  0.0893  0.7600  1.0
  F  F2  4  0.1426  0.1307  0.4472  1.0
  F  F3  4  0.3350  0.7007  0.4421  1.0
  F  F4  4  0.4131  0.0509  0.2601  1.0
]