data_[Ba4P4Pd12Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.1528]
_cell_length_b [13.1287]
_cell_length_c [6.5202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaPPd3Pb]
_chemical_formula_sum '[Ba4 P4 Pd12 Pb4]'
_cell_volume [612.2943]
_cell_formula_units_Z [4]
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  4  0.0000  0.2476  0.7500  1.0
  P  P1  4  0.0000  0.0681  0.2500  1.0
  Pd  Pd2  8  0.1954  0.0000  0.0000  1.0
  Pd  Pd3  4  0.0000  0.2392  0.2500  1.0
  Pb  Pb4  4  0.0000  0.4437  0.2500  1.0
]