data_[Nd4Sm24Tm12]
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
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.0154]
_cell_length_b [19.1795]
_cell_length_c [6.2585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd(Sm2Tm)3]
_chemical_formula_sum '[Nd4 Sm24 Tm12]'
_cell_volume [1322.2341]
_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  0.0000  0.1984  0.6200  1
  Sm  Sm1  8  0.1669  0.4583  0.0431  1
  Sm  Sm2  8  0.2379  0.2907  0.8687  1
  Sm  Sm3  4  0.0000  0.0397  0.3921  1
  Sm  Sm4  4  0.0000  0.2807  0.1440  1
  Tm  Tm5  8  0.1720  0.1133  0.9617  1
  Tm  Tm6  4  0.0000  0.3856  0.5821  1
]