data_[Nd4Al2Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0924]
_cell_length_b [4.0740]
_cell_length_c [8.7983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd2AlSi]
_chemical_formula_sum '[Nd4 Al2 Si2]'
_cell_volume [207.3203]
_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  2  0.2051  0.2500  0.4259  1.0
  Nd  Nd1  2  0.2801  0.7500  0.0684  1.0
  Al  Al2  2  0.3544  0.7500  0.7179  1.0
  Si  Si3  2  0.1473  0.2500  0.7874  1.0
]