data_[Sm8Th2Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [8.0848]
_cell_length_b [8.0848]
_cell_length_c [9.7489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Sm4ThSb4]
_chemical_formula_sum '[Sm8 Th2 Sb8]'
_cell_volume [637.2307]
_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  0.0000  0.3330  1
  Sm  Sm1  4  0.0000  0.5000  0.0000  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  Sb  Sb3  8  0.2377  0.2377  0.1512  1
]