data_[Sm6Dy12Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.0718]
_cell_length_b [3.5324]
_cell_length_c [14.3274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm3Dy6Th]
_chemical_formula_sum '[Sm6 Dy12 Th2]'
_cell_volume [650.7566]
_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  2  0.0752  0.2500  0.1011  1
  Sm  Sm1  2  0.3730  0.7500  0.4965  1
  Sm  Sm2  2  0.4216  0.2500  0.9024  1
  Dy  Dy3  2  0.1196  0.2500  0.4856  1
  Dy  Dy4  2  0.1904  0.7500  0.9208  1
  Dy  Dy5  2  0.2203  0.7500  0.2866  1
  Dy  Dy6  2  0.2704  0.7500  0.6988  1
  Dy  Dy7  2  0.3447  0.2500  0.1207  1
  Dy  Dy8  2  0.4988  0.7500  0.3093  1
  Th  Th9  2  0.0410  0.2500  0.7217  1
]