data_[Nd16Ni4Sn4]
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 [Immm]
_cell_length_a [6.1467]
_cell_length_b [7.1039]
_cell_length_c [15.4236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd4NiSn]
_chemical_formula_sum '[Nd16 Ni4 Sn4]'
_cell_volume [673.4748]
_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  8  0.0000  0.2496  0.1196  1.0
  Nd  Nd1  4  0.0000  0.2319  0.5000  1.0
  Nd  Nd2  4  0.0000  0.5000  0.3092  1.0
  Ni  Ni3  4  0.1974  0.0000  0.0000  1.0
  Sn  Sn4  4  0.0000  0.0000  0.3069  1.0
]