data_[Nd2Sm8Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.6159]
_cell_length_b [7.7638]
_cell_length_c [8.7702]
_cell_angle_alpha [100.5599]
_cell_angle_beta [105.3023]
_cell_angle_gamma [107.5757]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nd(Sm2Ru)2]
_chemical_formula_sum '[Nd2 Sm8 Ru4]'
_cell_volume [396.9306]
_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  1  0.6247  0.2131  0.0641  1
  Nd  Nd1  1  0.8729  0.1342  0.4678  1
  Sm  Sm2  1  0.1055  0.2920  0.8880  1
  Sm  Sm3  1  0.1113  0.7759  0.8728  1
  Sm  Sm4  1  0.2410  0.9637  0.3040  1
  Sm  Sm5  1  0.2523  0.4322  0.3174  1
  Sm  Sm6  1  0.5365  0.8506  0.6628  1
  Sm  Sm7  1  0.5683  0.3638  0.6982  1
  Sm  Sm8  1  0.6339  0.7127  0.0420  1
  Sm  Sm9  1  0.8837  0.6426  0.4398  1
  Ru  Ru10  1  0.2123  0.5095  0.6648  1
  Ru  Ru11  1  0.2243  0.0302  0.6600  1
  Ru  Ru12  1  0.5216  0.7747  0.3215  1
  Ru  Ru13  1  0.9617  0.5548  0.0969  1
]