data_[Ba4Bi2P2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.8230]
_cell_length_b [9.2095]
_cell_length_c [7.3850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ba2BiPPd6]
_chemical_formula_sum '[Ba4 Bi2 P2 Pd12]'
_cell_volume [464.0417]
_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  4  0.0000  0.2258  0.2843  1.0
  Bi  Bi1  2  0.0000  0.5000  0.6394  1.0
  P  P2  2  0.0000  0.0000  0.8717  1.0
  Pd  Pd3  4  0.0000  0.2476  0.8415  1.0
  Pd  Pd4  4  0.2035  0.5000  0.9840  1.0
  Pd  Pd5  4  0.2061  0.0000  0.6175  1.0
]