data_[Ba2Y1Cu3Pb2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.9213]
_cell_length_b [3.8747]
_cell_length_c [16.5479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba2YCu3(PbO4)2]
_chemical_formula_sum '[Ba2 Y1 Cu3 Pb2 O8]'
_cell_volume [251.3825]
_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  2  0.0110  0.0000  0.2233  1
  Y  Y1  1  0.0000  0.0000  0.0000  1
  Cu  Cu2  2  0.4984  0.5000  0.9020  1
  Cu  Cu3  1  0.0000  0.0000  0.5000  1
  Pb  Pb4  2  0.4912  0.5000  0.6083  1
  O  O5  2  0.0005  0.5000  0.0879  1
  O  O6  2  0.1254  0.0000  0.3924  1
  O  O7  2  0.4880  0.5000  0.7418  1
  O  O8  2  0.4982  0.0000  0.9130  1
]