data_[Nd16Sm8Y12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.4495]
_cell_length_b [11.9287]
_cell_length_c [6.2517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5268]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd4Sm2Y3]
_chemical_formula_sum '[Nd16 Sm8 Y12]'
_cell_volume [1218.7707]
_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  0.0482  0.1409  0.5152  1.0
  Nd  Nd1  8  0.2141  0.3586  0.3488  1.0
  Sm  Sm2  8  0.1178  0.3608  0.8177  1.0
  Y  Y3  8  0.1672  0.1023  0.0803  1.0
  Y  Y4  4  0.0000  0.3981  0.2500  1.0
]