data_[Pb2Cl3F1]
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 [4.1782]
_cell_length_b [20.7187]
_cell_length_c [5.6026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Pb2Cl3F]
_chemical_formula_sum '[Pb2 Cl3 F1]'
_cell_volume [459.3549]
_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  2  0.6885  0.4084  0.5245  1
  Cl  Cl1  2  0.0522  0.3620  0.2166  1
  Cl  Cl2  1  0.2746  0.5000  0.7329  1
  F  F3  1  0.5924  0.5000  0.2967  1
]