data_[Nd16Al4Sn2]
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 [17.4458]
_cell_length_b [5.0208]
_cell_length_c [8.1371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Al2Sn]
_chemical_formula_sum '[Nd16 Al4 Sn2]'
_cell_volume [665.6026]
_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  0.0482  0.0000  0.7378  1
  Nd  Nd1  4  0.1041  0.5000  0.4549  1
  Nd  Nd2  4  0.1601  0.0000  0.2346  1
  Nd  Nd3  4  0.1762  0.5000  0.9361  1
  Al  Al4  4  0.2159  0.0000  0.6628  1
  Sn  Sn5  2  0.0000  0.5000  0.0000  1
]