data_[Nd3Y12Tm24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2799]
_cell_length_b [7.2799]
_cell_length_c [26.6738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd(YTm2)4]
_chemical_formula_sum '[Nd3 Y12 Tm24]'
_cell_volume [1224.2521]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1
  Y  Y1  9  0.0000  0.5000  0.0000  1
  Y  Y2  3  0.0000  0.0000  0.0000  1
  Tm  Tm3  18  0.0403  0.5202  0.7698  1
  Tm  Tm4  6  0.0000  0.0000  0.7813  1
]