data_[Sm4Th6U2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  U  1.3800  1.7500  0.9913
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2162]
_cell_length_b [10.7376]
_cell_length_c [6.2342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3633]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Th3UN6]
_chemical_formula_sum '[Sm4 Th6 U2 N12]'
_cell_volume [392.5813]
_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
[
  Sm  Sm0  4  0.0000  0.3331  0.0000  1
  Th  Th1  4  0.0000  0.1685  0.5000  1
  Th  Th2  2  0.0000  0.5000  0.5000  1
  U  U3  2  0.0000  0.0000  0.0000  1
  N  N4  8  0.2294  0.1523  0.2304  1
  N  N5  4  0.2271  0.0000  0.7595  1
]