data_[Ba2Cu4Pb2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.7790]
_cell_length_b [6.7790]
_cell_length_c [14.2655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [BaCu2PbCl8]
_chemical_formula_sum '[Ba2 Cu4 Pb2 Cl16]'
_cell_volume [655.5672]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.7500  1.0
  Cu  Cu1  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  2  0.0000  0.5000  0.2500  1.0
  Pb  Pb3  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  8  0.1314  0.7702  0.1803  1.0
  Cl  Cl5  8  0.1525  0.2678  0.5630  1.0
]