data_[Nd8P12Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2214]
_cell_length_b [23.7955]
_cell_length_c [7.1495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2P3Pd5]
_chemical_formula_sum '[Nd8 P12 Pd20]'
_cell_volume [718.1712]
_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  0.1756  0.2546  1
  Nd  Nd1  4  0.0000  0.4750  0.2263  1
  P  P2  4  0.0000  0.0455  0.0176  1
  P  P3  4  0.0000  0.2255  0.7939  1
  P  P4  4  0.0000  0.3929  0.9171  1
  Pd  Pd5  4  0.0000  0.0548  0.4232  1
  Pd  Pd6  4  0.0000  0.1275  0.8138  1
  Pd  Pd7  4  0.0000  0.2732  0.4956  1
  Pd  Pd8  4  0.0000  0.3105  0.1222  1
  Pd  Pd9  4  0.0000  0.4013  0.5708  1
]