data_[Nd4Al6Si4]
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 [C2/m]
_cell_length_a [10.5272]
_cell_length_b [4.1513]
_cell_length_c [6.7599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8113]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Al3Si2]
_chemical_formula_sum '[Nd4 Al6 Si4]'
_cell_volume [289.1601]
_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  0.1210  0.5000  0.3230  1.0
  Al  Al1  4  0.1931  0.5000  0.8667  1.0
  Al  Al2  2  0.0000  0.0000  0.0000  1.0
  Si  Si3  4  0.0899  0.0000  0.6436  1.0
]