data_[Ba1Fe1Cu1Pb2Cl1O5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9647]
_cell_length_b [3.9647]
_cell_length_c [11.6957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [BaFeCuPb2ClO5]
_chemical_formula_sum '[Ba1 Fe1 Cu1 Pb2 Cl1 O5]'
_cell_volume [183.8428]
_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
[
  Ba  Ba0  1  0.5000  0.5000  0.5207  1.0
  Fe  Fe1  1  0.0000  0.0000  0.3254  1.0
  Cu  Cu2  1  0.0000  0.0000  0.6933  1.0
  Pb  Pb3  1  0.5000  0.5000  0.1619  1.0
  Pb  Pb4  1  0.5000  0.5000  0.8360  1.0
  Cl  Cl5  1  0.0000  0.0000  0.9958  1.0
  O  O6  2  0.0000  0.5000  0.2826  1.0
  O  O7  2  0.0000  0.5000  0.7083  1.0
  O  O8  1  0.0000  0.0000  0.4850  1.0
]