data_[Nd16Ni8Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.6438]
_cell_length_b [15.5813]
_cell_length_c [6.9585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.9102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Nd4Ni2Sn]
_chemical_formula_sum '[Nd16 Ni8 Sn4]'
_cell_volume [739.4140]
_cell_formula_units_Z [4]
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  0.1669  0.9864  0.9332  1.0
  Nd  Nd1  4  0.1833  0.4208  0.7805  1.0
  Nd  Nd2  4  0.2508  0.7853  0.5911  1.0
  Nd  Nd3  4  0.4107  0.2134  0.7173  1.0
  Ni  Ni4  4  0.0546  0.8365  0.1194  1.0
  Ni  Ni5  4  0.4782  0.9156  0.9610  1.0
  Sn  Sn6  4  0.3308  0.3870  0.3974  1.0
]