data_[Sm2Y12Th6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.2476]
_cell_length_b [3.5056]
_cell_length_c [14.3306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm(Y2Th)3]
_chemical_formula_sum '[Sm2 Y12 Th6]'
_cell_volume [659.7855]
_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  0.3157  0.2500  0.1062  1
  Y  Y1  2  0.0621  0.7500  0.0980  1
  Y  Y2  2  0.1221  0.7500  0.4992  1
  Y  Y3  2  0.2240  0.7500  0.2973  1
  Y  Y4  2  0.2557  0.2500  0.7044  1
  Y  Y5  2  0.3725  0.2500  0.4797  1
  Y  Y6  2  0.4246  0.7500  0.8974  1
  Th  Th7  2  0.0079  0.7500  0.7019  1
  Th  Th8  2  0.1735  0.7500  0.8968  1
  Th  Th9  2  0.4803  0.7500  0.2912  1
]