data_[La5Nd4Th1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6383]
_cell_length_b [6.7639]
_cell_length_c [8.7504]
_cell_angle_alpha [70.3032]
_cell_angle_beta [77.5777]
_cell_angle_gamma [86.1275]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La5Nd4Th]
_chemical_formula_sum '[La5 Nd4 Th1]'
_cell_volume [361.2427]
_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
[
  La  La0  2  0.1642  0.1851  0.3120  1
  La  La1  2  0.2737  0.6291  0.4329  1
  La  La2  1  0.5000  0.5000  0.0000  1
  Nd  Nd3  2  0.0292  0.2922  0.8957  1
  Nd  Nd4  2  0.3150  0.9701  0.6833  1
  Th  Th5  1  0.5000  0.0000  0.0000  1
]