data_[Tb4Nd15Th1]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1744]
_cell_length_b [5.1744]
_cell_length_c [25.8010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tb4Nd15Th]
_chemical_formula_sum '[Tb4 Nd15 Th1]'
_cell_volume [690.7944]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.2003  1
  Tb  Tb1  2  0.0000  0.0000  0.4002  1
  Nd  Nd2  4  0.0000  0.5000  0.0987  1
  Nd  Nd3  4  0.0000  0.5000  0.2999  1
  Nd  Nd4  2  0.0000  0.5000  0.5000  1
  Nd  Nd5  2  0.5000  0.5000  0.2018  1
  Nd  Nd6  2  0.5000  0.5000  0.4005  1
  Nd  Nd7  1  0.5000  0.5000  0.0000  1
  Th  Th8  1  0.0000  0.0000  0.0000  1
]