data_[Nd4Sm12Sb12]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.4199]
_cell_length_b [13.3384]
_cell_length_c [8.1525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Nd(SmSb)3]
_chemical_formula_sum '[Nd4 Sm12 Sb12]'
_cell_volume [836.1309]
_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  4  0.0710  0.5710  0.0001  1.0
  Sm  Sm1  4  0.1077  0.2503  0.8576  1.0
  Sm  Sm2  4  0.3212  0.1784  0.5002  1.0
  Sm  Sm3  4  0.4994  0.4998  0.1419  1.0
  Sb  Sb4  4  0.2523  0.3737  0.2508  1.0
  Sb  Sb5  4  0.3100  0.0633  0.1238  1.0
  Sb  Sb6  4  0.4385  0.3128  0.8755  1.0
]