data_[Nd18Dy36Tm3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [16.6284]
_cell_length_b [16.6284]
_cell_length_c [8.1996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd6Dy12Tm]
_chemical_formula_sum '[Nd18 Dy36 Tm3]'
_cell_volume [1963.4620]
_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  18  0.1028  0.2057  0.5766  1
  Dy  Dy1  18  0.0000  0.3834  0.5000  1
  Dy  Dy2  18  0.1075  0.2149  0.1242  1
  Tm  Tm3  3  0.0000  0.0000  0.0000  1
]