data_[Tb12Nd24In4]
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 [Cmc2_1]
_cell_length_a [9.8554]
_cell_length_b [20.7887]
_cell_length_c [6.4516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3Nd6In]
_chemical_formula_sum '[Tb12 Nd24 In4]'
_cell_volume [1321.8237]
_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
[
  Tb  Tb0  8  0.1681  0.1279  0.9843  1
  Tb  Tb1  4  0.0000  0.4135  0.5827  1
  Nd  Nd2  8  0.1827  0.4426  0.0578  1
  Nd  Nd3  8  0.1854  0.2825  0.8374  1
  Nd  Nd4  4  0.0000  0.0176  0.3089  1
  Nd  Nd5  4  0.0000  0.2882  0.2836  1
  In  In6  4  0.0000  0.1540  0.5513  1
]