data_[Tb21Nd36In3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.3414]
_cell_length_b [12.3414]
_cell_length_c [15.4187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb7Nd12In]
_chemical_formula_sum '[Tb21 Nd36 In3]'
_cell_volume [2033.8030]
_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
[
  Tb  Tb0  18  0.0509  0.1842  0.8041  1
  Tb  Tb1  3  -0.0000  0.0000  0.5000  1
  Nd  Nd2  18  0.0283  0.4478  0.7103  1
  Nd  Nd3  18  0.0584  0.5892  0.0844  1
  In  In4  3  0.0000  0.0000  0.0000  1
]