data_[La12Nd8Th4]
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 [Imma]
_cell_length_a [5.1931]
_cell_length_b [10.4683]
_cell_length_c [15.6042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [La3Nd2Th]
_chemical_formula_sum '[La12 Nd8 Th4]'
_cell_volume [848.2915]
_cell_formula_units_Z [4]
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  8  0.0000  0.0095  0.1687  1
  La  La1  4  0.0000  0.0000  0.5000  1
  Nd  Nd2  4  0.0000  0.2500  0.0062  1
  Nd  Nd3  4  0.0000  0.2500  0.6669  1
  Th  Th4  4  0.0000  0.2500  0.3291  1
]