data_[Sm14Y6Th4]
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 [C2/m]
_cell_length_a [35.2666]
_cell_length_b [3.6176]
_cell_length_c [6.2664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3754]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm7Y3Th2]
_chemical_formula_sum '[Sm14 Y6 Th4]'
_cell_volume [798.0770]
_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  0.0829  0.5000  0.1932  1
  Sm  Sm1  4  0.0851  0.0000  0.6991  1
  Sm  Sm2  4  0.2484  0.0000  0.7575  1
  Sm  Sm3  2  0.0000  0.0000  0.0000  1
  Y  Y4  4  0.1658  0.0000  0.3943  1
  Y  Y5  2  0.0000  0.5000  0.5000  1
  Th  Th6  4  0.1654  0.5000  0.8880  1
]