data_[Nd2Pa2Pd2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pa  1.5000  1.8000  1.0400
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7619]
_cell_length_b [6.4534]
_cell_length_c [8.0679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdPaPdSe4]
_chemical_formula_sum '[Nd2 Pa2 Pd2 Se8]'
_cell_volume [336.9615]
_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
[
  Nd  Nd0  2  0.2181  0.2500  0.0503  1
  Pa  Pa1  2  0.2487  0.2500  0.5610  1
  Pd  Pd2  2  0.2404  0.7500  0.3228  1
  Se  Se3  4  0.0347  0.5201  0.7399  1
  Se  Se4  2  0.4512  0.7500  0.1121  1
  Se  Se5  2  0.4582  0.7500  0.6263  1
]