data_[Nd4Sm2Pa4Ru10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Pa  1.5000  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.5915]
_cell_length_b [10.5915]
_cell_length_c [3.9227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Nd2SmPa2Ru5]
_chemical_formula_sum '[Nd4 Sm2 Pa4 Ru10]'
_cell_volume [440.0488]
_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  0.1763  0.3237  0.0000  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Pa  Pa2  4  0.1254  0.6254  0.0000  1
  Ru  Ru3  8  0.0696  0.7790  0.5000  1
  Ru  Ru4  2  0.0000  0.5000  0.5000  1
]