data_[Sm4Y14Th6]
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 [Cmmm]
_cell_length_a [5.9311]
_cell_length_b [37.6609]
_cell_length_c [3.5940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sm2Y7Th3]
_chemical_formula_sum '[Sm4 Y14 Th6]'
_cell_volume [802.7886]
_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  0.1742  0.0000  1
  Y  Y1  4  0.0000  0.0892  0.5000  1
  Y  Y2  4  0.0000  0.2726  0.0000  1
  Y  Y3  4  0.0000  0.4258  0.0000  1
  Y  Y4  2  0.0000  0.0000  0.0000  1
  Th  Th5  4  0.0000  0.3487  0.5000  1
  Th  Th6  2  0.0000  0.5000  0.5000  1
]