data_[La8Nd5Th1]
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 [P1]
_cell_length_a [7.1047]
_cell_length_b [8.8552]
_cell_length_c [9.6032]
_cell_angle_alpha [64.4023]
_cell_angle_beta [70.4905]
_cell_angle_gamma [75.3050]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La8Nd5Th]
_chemical_formula_sum '[La8 Nd5 Th1]'
_cell_volume [509.3172]
_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  1  0.0303  0.4791  0.6480  1
  La  La1  1  0.2852  0.4250  0.9540  1
  La  La2  1  0.3364  0.6153  0.2090  1
  La  La3  1  0.4164  0.9985  0.2440  1
  La  La4  1  0.4711  0.1759  0.5133  1
  La  La5  1  0.7106  0.1263  0.8171  1
  La  La6  1  0.8910  0.8957  0.3719  1
  La  La7  1  0.9947  0.2855  0.3854  1
  Nd  Nd8  1  0.1372  0.8470  0.6780  1
  Nd  Nd9  1  0.1920  0.0372  0.9320  1
  Nd  Nd10  1  0.5616  0.5688  0.5340  1
  Nd  Nd11  1  0.7572  0.3333  0.0729  1
  Nd  Nd12  1  0.8474  0.7092  0.0996  1
  Th  Th13  1  0.6188  0.7530  0.7906  1
]