data_[Na1Pb1Br1F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.1707]
_cell_length_b [4.1707]
_cell_length_c [6.7630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [NaPbBrF2]
_chemical_formula_sum '[Na1 Pb1 Br1 F2]'
_cell_volume [117.6434]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0376  1.0
  Pb  Pb1  1  0.5000  0.5000  0.7009  1.0
  Br  Br2  1  0.0000  0.0000  0.4655  1.0
  F  F3  2  0.0000  0.5000  0.8980  1.0
]