data_[Pb5Cl4]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5362]
_cell_length_b [7.4104]
_cell_length_c [19.4836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.9340]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Pb5Cl4]
_chemical_formula_sum '[Pb5 Cl4]'
_cell_volume [943.5685]
_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  0.3616  0.6367  0.5798  1
  Pb  Pb1  1  0.4537  0.5002  0.4213  1
  Pb  Pb2  1  0.5757  0.9320  0.4327  1
  Pb  Pb3  1  0.6177  0.2521  0.5497  1
  Pb  Pb4  1  0.9666  0.5649  0.4574  1
  Cl  Cl5  1  0.0090  0.4152  0.5992  1
  Cl  Cl6  1  0.2739  0.0164  0.5413  1
  Cl  Cl7  1  0.7852  0.8210  0.5495  1
  Cl  Cl8  1  0.9567  0.8614  0.3691  1
]