data_[Nd6Sm2Th2]
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 [P6_3mc]
_cell_length_a [3.6540]
_cell_length_b [3.6540]
_cell_length_c [29.6923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Nd3SmTh]
_chemical_formula_sum '[Nd6 Sm2 Th2]'
_cell_volume [343.3328]
_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  2  0.0000  0.0000  0.3242  1
  Nd  Nd1  2  0.3333  0.6667  0.1214  1
  Nd  Nd2  2  0.3333  0.6667  0.4287  1
  Sm  Sm3  2  0.3333  0.6667  0.7257  1
  Th  Th4  2  0.0000  0.0000  0.0249  1
]