data_[Nd16Sn4Ru2]
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 [C2/m]
_cell_length_a [19.6980]
_cell_length_b [5.1222]
_cell_length_c [6.9776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Sn2Ru]
_chemical_formula_sum '[Nd16 Sn4 Ru2]'
_cell_volume [678.5895]
_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  0.0144  0.0000  0.7844  1.0
  Nd  Nd1  4  0.0900  0.5000  0.4649  1.0
  Nd  Nd2  4  0.1450  0.5000  0.9969  1.0
  Nd  Nd3  4  0.2160  0.0000  0.3185  1.0
  Sn  Sn4  4  0.1799  0.0000  0.7499  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]