data_[Pa6P8Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.5723]
_cell_length_b [3.8175]
_cell_length_c [12.2591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Pa3(PPd)4]
_chemical_formula_sum '[Pa6 P8 Pd8]'
_cell_volume [401.1765]
_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
[
  Pa  Pa0  4  0.3067  0.0000  0.3777  1
  Pa  Pa1  2  0.0000  0.0000  0.2711  1
  P  P2  4  0.2258  0.0000  0.7068  1
  P  P3  2  0.0000  0.0000  0.9417  1
  P  P4  2  0.5000  0.0000  0.9809  1
  Pd  Pd5  4  0.2576  0.0000  0.0791  1
  Pd  Pd6  2  0.0000  0.0000  0.5619  1
  Pd  Pd7  2  0.5000  0.0000  0.7157  1
]