data_[Nd16Al2Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7229]
_cell_length_b [5.2982]
_cell_length_c [6.9321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8AlSn2]
_chemical_formula_sum '[Nd16 Al2 Sn4]'
_cell_volume [697.4638]
_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  0.0131  0.0000  0.7720  1.0
  Nd  Nd1  4  0.0911  0.5000  0.4741  1.0
  Nd  Nd2  4  0.1561  0.5000  0.9954  1.0
  Nd  Nd3  4  0.2129  0.0000  0.3160  1.0
  Al  Al4  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn5  4  0.1771  0.0000  0.7480  1.0
]