data_[Nd2Sn12Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.9462]
_cell_length_b [6.9462]
_cell_length_c [9.8862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Nd(Sn3Ru2)2]
_chemical_formula_sum '[Nd2 Sn12 Ru8]'
_cell_volume [476.9973]
_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  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn1  8  0.1759  0.1759  0.2943  1.0
  Sn  Sn2  4  0.0000  0.5000  0.0000  1.0
  Ru  Ru3  8  0.1723  0.1723  0.5777  1.0
]