data_[Nd96Tm40Al24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [18.3023]
_cell_length_b [18.3023]
_cell_length_c [18.3023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Nd12Tm5Al3]
_chemical_formula_sum '[Nd96 Tm40 Al24]'
_cell_volume [6130.7892]
_cell_formula_units_Z [8]
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  96  0.0092  0.0826  0.6518  1
  Tm  Tm1  24  0.0000  0.2500  0.3750  1
  Tm  Tm2  16  0.0000  0.0000  0.0000  1
  Al  Al3  24  0.0000  0.2500  0.1250  1
]