data_[Nd24Al8Sn4]
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 [Immm]
_cell_length_a [9.8726]
_cell_length_b [10.0933]
_cell_length_c [11.1582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd6Al2Sn]
_chemical_formula_sum '[Nd24 Al8 Sn4]'
_cell_volume [1111.8777]
_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  0.2908  0.3215  1.0
  Nd  Nd1  8  0.1889  0.2802  0.0000  1.0
  Nd  Nd2  8  0.2009  0.0000  0.2384  1.0
  Al  Al3  4  0.0000  0.5000  0.1193  1.0
  Al  Al4  4  0.1385  0.5000  0.5000  1.0
  Sn  Sn5  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn6  2  0.0000  0.0000  0.5000  1.0
]