data_[Nd4Sm2Y2]
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 [Amm2]
_cell_length_a [5.6769]
_cell_length_b [3.5850]
_cell_length_c [13.4915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nd2SmY]
_chemical_formula_sum '[Nd4 Sm2 Y2]'
_cell_volume [274.5733]
_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  0.0000  0.0000  0.8133  1.0
  Nd  Nd1  2  0.5000  0.0000  0.9385  1.0
  Sm  Sm2  2  0.5000  0.0000  0.1938  1.0
  Y  Y3  2  0.0000  0.0000  0.5544  1.0
]