data_[Tb12Nd6In2]
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 [P2_1/m]
_cell_length_a [12.9964]
_cell_length_b [3.5503]
_cell_length_c [14.7678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb6Nd3In]
_chemical_formula_sum '[Tb12 Nd6 In2]'
_cell_volume [640.7766]
_cell_formula_units_Z [2]
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  2  0.1115  0.2500  0.7086  1.0
  Tb  Tb1  2  0.1653  0.7500  0.2790  1.0
  Tb  Tb2  2  0.2520  0.2500  0.1141  1.0
  Tb  Tb3  2  0.2848  0.7500  0.8986  1.0
  Tb  Tb4  2  0.3577  0.7500  0.6923  1.0
  Tb  Tb5  2  0.3665  0.2500  0.4738  1.0
  Nd  Nd6  2  0.0353  0.7500  0.9116  1.0
  Nd  Nd7  2  0.1228  0.7500  0.5012  1.0
  Nd  Nd8  2  0.4877  0.7500  0.1040  1.0
  In  In9  2  0.4250  0.7500  0.3071  1.0
]