data_[Nd2Sm6Th4Sb12]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5739]
_cell_length_b [4.4986]
_cell_length_c [8.9731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdSm3(ThSb3)2]
_chemical_formula_sum '[Nd2 Sm6 Th4 Sb12]'
_cell_volume [769.3405]
_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  0.5000  0.0000  1
  Sm  Sm1  4  0.1657  0.0000  0.8336  1
  Sm  Sm2  2  0.0000  0.5000  0.5000  1
  Th  Th3  4  0.1655  0.0000  0.3311  1
  Sb  Sb4  4  0.0004  0.0000  0.7475  1
  Sb  Sb5  4  0.1666  0.5000  0.5842  1
  Sb  Sb6  4  0.1677  0.5000  0.0822  1
]