data_[Nd5Sm4Th2]
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 [P2/m]
_cell_length_a [9.0331]
_cell_length_b [3.5247]
_cell_length_c [12.0017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd5(Sm2Th)2]
_chemical_formula_sum '[Nd5 Sm4 Th2]'
_cell_volume [381.0695]
_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
[
  Nd  Nd0  2  0.1949  0.0000  0.1679  1
  Nd  Nd1  2  0.4205  0.0000  0.7123  1
  Nd  Nd2  1  0.5000  0.0000  0.0000  1
  Sm  Sm3  2  0.1566  0.5000  0.8939  1
  Sm  Sm4  2  0.3033  0.5000  0.4528  1
  Th  Th5  2  0.0432  0.0000  0.6304  1
]