data_[Nd8Al4Pd4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0013]
_cell_length_b [18.1048]
_cell_length_c [11.4370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2AlPdSe5]
_chemical_formula_sum '[Nd8 Al4 Pd4 Se20]'
_cell_volume [828.5343]
_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
[
  Nd  Nd0  4  0.0000  0.1061  0.3133  1
  Nd  Nd1  4  0.0000  0.1283  0.6871  1
  Al  Al2  4  0.0000  0.4078  0.4917  1
  Pd  Pd3  4  0.0000  0.1945  0.9745  1
  Se  Se4  4  0.0000  0.0274  0.0752  1
  Se  Se5  4  0.0000  0.2820  0.3348  1
  Se  Se6  4  0.0000  0.3053  0.6474  1
  Se  Se7  4  0.0000  0.3561  0.9965  1
  Se  Se8  4  0.0000  0.4745  0.3036  1
]