data_[Nd21Tm36Tl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.2400]
_cell_length_b [12.2400]
_cell_length_c [15.2406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd7Tm12Tl]
_chemical_formula_sum '[Nd21 Tm36 Tl3]'
_cell_volume [1977.4016]
_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  0.0139  0.4333  0.2028  1
  Nd  Nd1  3  -0.0000  0.0000  0.5000  1
  Tm  Tm2  18  0.0327  0.1864  0.3078  1
  Tm  Tm3  18  0.0716  0.8139  0.9226  1
  Tl  Tl4  3  0.0000  0.0000  0.0000  1
]