data_[Pb2Cl1F3]
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 [Pm]
_cell_length_a [5.8039]
_cell_length_b [7.5461]
_cell_length_c [17.2313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Pb2ClF3]
_chemical_formula_sum '[Pb2 Cl1 F3]'
_cell_volume [754.6836]
_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
[
  Pb  Pb0  1  0.0098  0.5000  0.5105  1
  Pb  Pb1  1  0.6698  0.0000  0.4718  1
  Cl  Cl2  1  0.1629  0.0000  0.4645  1
  F  F3  2  0.7418  0.3209  0.4796  1
  F  F4  1  0.6780  0.0000  0.5940  1
]