data_[Nd8Y4Pa4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Pa  1.5000  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.9344]
_cell_length_b [13.6413]
_cell_length_c [6.8359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Nd2YPaRu2]
_chemical_formula_sum '[Nd8 Y4 Pa4 Ru8]'
_cell_volume [646.6367]
_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  8  0.2200  0.6944  0.5000  1
  Y  Y1  4  0.0000  0.0000  0.2500  1
  Pa  Pa2  4  0.0000  0.5000  0.2500  1
  Ru  Ru3  8  0.2077  0.4031  0.5000  1
]