data_[Nd6Sm6Y2]
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 [P6_3/m]
_cell_length_a [9.6870]
_cell_length_b [9.6870]
_cell_length_c [5.9514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Nd3Sm3Y]
_chemical_formula_sum '[Nd6 Sm6 Y2]'
_cell_volume [483.6515]
_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  6  0.0941  0.4738  0.7500  1.0
  Sm  Sm1  6  0.0446  0.2370  0.2500  1.0
  Y  Y2  2  0.3333  0.6667  0.2500  1.0
]