data_[Nd8Sm6Y2]
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 [Pmn2_1]
_cell_length_a [11.8734]
_cell_length_b [7.3363]
_cell_length_c [6.3824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd4Sm3Y]
_chemical_formula_sum '[Nd8 Sm6 Y2]'
_cell_volume [555.9444]
_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  0.2491  0.8732  0.0198  1.0
  Nd  Nd1  2  0.0000  0.1256  0.8503  1.0
  Nd  Nd2  2  0.0000  0.8741  0.3535  1.0
  Sm  Sm3  4  0.2498  0.6234  0.5196  1.0
  Sm  Sm4  2  0.0000  0.3757  0.3503  1.0
  Y  Y5  2  0.0000  0.6226  0.8518  1.0
]