data_[Nd6P10Pd12]
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 [Pmmn]
_cell_length_a [4.0303]
_cell_length_b [12.5214]
_cell_length_c [9.9821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Nd3P5Pd6]
_chemical_formula_sum '[Nd6 P10 Pd12]'
_cell_volume [503.7446]
_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  4  0.0000  0.3410  0.7546  1
  Nd  Nd1  2  0.0000  0.0000  0.7406  1
  P  P2  4  0.0000  0.1232  0.4763  1
  P  P3  4  0.0000  0.3317  0.1513  1
  P  P4  2  0.0000  0.0000  0.1308  1
  Pd  Pd5  4  0.0000  0.1693  0.9916  1
  Pd  Pd6  4  0.0000  0.3089  0.3934  1
  Pd  Pd7  2  0.0000  0.5000  0.0118  1
  Pd  Pd8  2  0.0000  0.5000  0.5226  1
]