data_[P1Pb1Cl1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  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 [P1]
_cell_length_a [4.8053]
_cell_length_b [4.9418]
_cell_length_c [6.8399]
_cell_angle_alpha [97.1561]
_cell_angle_beta [93.2692]
_cell_angle_gamma [102.2312]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PPbClF6]
_chemical_formula_sum '[P1 Pb1 Cl1 F6]'
_cell_volume [156.9197]
_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
[
  P  P0  1  0.5007  0.6638  0.3344  1.0
  Pb  Pb1  1  0.5226  0.3080  0.7573  1.0
  Cl  Cl2  1  0.9655  0.0704  0.8593  1.0
  F  F3  1  0.2474  0.7348  0.2035  1.0
  F  F4  1  0.2922  0.3712  0.3764  1.0
  F  F5  1  0.3934  0.8205  0.5446  1.0
  F  F6  1  0.6089  0.4978  0.1383  1.0
  F  F7  1  0.7126  0.9519  0.3118  1.0
  F  F8  1  0.7565  0.5817  0.4746  1.0
]