data_[Pb2Cl4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1814]
_cell_length_b [4.0844]
_cell_length_c [8.2706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pb(ClF)2]
_chemical_formula_sum '[Pb2 Cl4 F4]'
_cell_volume [238.9578]
_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
[
  Pb  Pb0  2  0.0000  0.0000  0.0000  1
  Cl  Cl1  4  0.0922  0.0000  0.6074  1
  F  F2  4  0.1877  0.5000  0.1082  1
]