data_[Nd4Sm6Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [7.0833]
_cell_length_b [16.4529]
_cell_length_c [3.5740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Nd2Sm3Th]
_chemical_formula_sum '[Nd4 Sm6 Th2]'
_cell_volume [416.5180]
_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
[
  Nd  Nd0  4  0.2487  0.3460  0.0000  1
  Sm  Sm1  4  0.2461  0.6522  0.0000  1
  Sm  Sm2  2  0.0000  0.0000  0.0000  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
]