data_[Ba2Nd1Pb1O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  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 [6.8672]
_cell_length_b [3.6545]
_cell_length_c [7.2418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2174]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba2NdPbO4]
_chemical_formula_sum '[Ba2 Nd1 Pb1 O4]'
_cell_volume [165.7493]
_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  0.0000  0.0000  0.5000  1
  Ba  Ba1  1  0.5000  0.5000  0.0000  1
  Nd  Nd2  1  0.5000  0.5000  0.5000  1
  Pb  Pb3  1  0.0000  0.0000  0.0000  1
  O  O4  2  0.1221  0.5000  0.2870  1
  O  O5  2  0.4327  0.0000  0.6942  1
]