data_[Nd6Pa4Ru8]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3193]
_cell_length_b [4.2765]
_cell_length_c [9.0686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(PaRu2)2]
_chemical_formula_sum '[Nd6 Pa4 Ru8]'
_cell_volume [430.5722]
_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  0.1227  0.5000  0.3854  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Pa  Pa2  4  0.1771  0.5000  0.7817  1
  Ru  Ru3  4  0.0905  0.0000  0.6419  1
  Ru  Ru4  4  0.2187  0.5000  0.0941  1
]