data_[Nd1Th2Nb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Th  1.3000  1.8000  1.0800
  Nb  1.6000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.2904]
_cell_length_b [5.2904]
_cell_length_c [5.8795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Nd(ThNb)2]
_chemical_formula_sum '[Nd1 Th2 Nb2]'
_cell_volume [142.5096]
_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
[
  Nd  Nd0  1  0.0000  0.0000  0.0000  1
  Th  Th1  2  0.3333  0.6667  0.6328  1
  Nb  Nb2  2  0.3333  0.6667  0.0923  1
]