data_[Na4Fe2Pb2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [5.8233]
_cell_length_b [6.1050]
_cell_length_c [10.2364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2051]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2FePbF6]
_chemical_formula_sum '[Na4 Fe2 Pb2 F12]'
_cell_volume [300.9691]
_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
[
  Na  Na0  4  0.2682  0.5425  0.7695  1.0
  Fe  Fe1  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  2  0.5000  0.0000  0.0000  1.0
  F  F3  4  0.0988  0.5977  0.2284  1.0
  F  F4  4  0.2528  0.2072  0.0932  1.0
  F  F5  4  0.3478  0.6505  0.0424  1.0
]