data_[Nd8Sm12Y20]
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 [10.7659]
_cell_length_b [16.4652]
_cell_length_c [9.3270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd2Sm3Y5]
_chemical_formula_sum '[Nd8 Sm12 Y20]'
_cell_volume [1350.5746]
_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  0.1463  0.3757  0.5439  1
  Sm  Sm1  8  0.1502  0.1246  0.0487  1
  Sm  Sm2  4  0.0000  0.2263  0.2500  1
  Y  Y3  8  0.2467  0.1220  0.7474  1
  Y  Y4  4  0.0000  0.0250  0.2500  1
  Y  Y5  4  0.0000  0.2735  0.7500  1
  Y  Y6  4  0.0000  0.4745  0.7500  1
]