data_[Nd8Sm2Y6]
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 [11.7491]
_cell_length_b [7.3468]
_cell_length_c [6.3774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd4SmY3]
_chemical_formula_sum '[Nd8 Sm2 Y6]'
_cell_volume [550.4888]
_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  0.2484  0.1254  0.5198  1.0
  Nd  Nd1  2  0.0000  0.1275  0.8533  1.0
  Nd  Nd2  2  0.0000  0.8733  0.3474  1.0
  Sm  Sm3  2  0.0000  0.6249  0.8526  1.0
  Y  Y4  4  0.2498  0.3776  0.0192  1.0
  Y  Y5  2  0.0000  0.3781  0.3534  1.0
]