data_[Nd6Y2Al2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0899]
_cell_length_b [5.2491]
_cell_length_c [8.3926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3YAl]
_chemical_formula_sum '[Nd6 Y2 Al2]'
_cell_volume [309.7545]
_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  0.0751  0.7500  0.3417  1
  Nd  Nd1  2  0.1939  0.2500  0.0512  1
  Nd  Nd2  2  0.3536  0.2500  0.4914  1
  Y  Y3  2  0.2835  0.7500  0.7816  1
  Al  Al4  2  0.4482  0.7500  0.1581  1
]