data_[La2Sm4Th6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3478]
_cell_length_b [10.9844]
_cell_length_c [6.3058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaSm2Th3N6]
_chemical_formula_sum '[La2 Sm4 Th6 N12]'
_cell_volume [414.2246]
_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
[
  La  La0  2  0.0000  0.0000  0.0000  1
  Sm  Sm1  4  0.0000  0.3335  0.0000  1
  Th  Th2  4  0.0000  0.1668  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  N  N4  8  0.2418  0.3297  0.7359  1
  N  N5  4  0.2465  0.5000  0.2617  1
]