data_[Pb2Cl2F2]
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 [P2_1]
_cell_length_a [4.7446]
_cell_length_b [5.8221]
_cell_length_c [5.8284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [PbClF]
_chemical_formula_sum '[Pb2 Cl2 F2]'
_cell_volume [160.9264]
_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  0.3636  0.2457  0.7409  1
  Cl  Cl1  2  0.4988  0.2453  0.2391  1
  F  F2  2  0.1293  0.7576  0.2648  1
]