data_[La12Nd10Th4]
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 [Pbam]
_cell_length_a [11.8326]
_cell_length_b [21.5106]
_cell_length_c [3.6714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [La6Nd5Th2]
_chemical_formula_sum '[La12 Nd10 Th4]'
_cell_volume [934.4641]
_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
[
  La  La0  4  0.0660  0.3539  0.0000  1
  La  La1  4  0.0841  0.0601  0.0000  1
  La  La2  4  0.1849  0.6257  0.5000  1
  Nd  Nd3  4  0.0560  0.2064  0.5000  1
  Nd  Nd4  4  0.1877  0.9140  0.5000  1
  Nd  Nd5  2  0.0000  0.5000  0.5000  1
  Th  Th6  4  0.1958  0.7643  0.0000  1
]