data_[H2Pb2O2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.7189]
_cell_length_b [3.9981]
_cell_length_c [5.4842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.5903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HPbOF]
_chemical_formula_sum '[H2 Pb2 O2 F2]'
_cell_volume [126.5835]
_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
[
  H  H0  2  0.1042  0.5000  0.2150  1.0
  Pb  Pb1  2  0.0005  0.5000  0.5852  1.0
  O  O2  2  0.2491  0.5000  0.4444  1.0
  F  F3  2  0.2753  0.0000  0.0018  1.0
]