data_[Sm2Th6Sb8]
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 [P2/c]
_cell_length_a [7.7941]
_cell_length_b [8.9630]
_cell_length_c [7.8002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [SmTh3Sb4]
_chemical_formula_sum '[Sm2 Th6 Sb8]'
_cell_volume [514.4553]
_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  0.0000  0.1241  0.7500  1
  Th  Th1  2  0.0000  0.3747  0.2500  1
  Th  Th2  2  0.5000  0.1245  0.2500  1
  Th  Th3  2  0.5000  0.3748  0.7500  1
  Sb  Sb4  4  0.2480  0.1240  0.5001  1
  Sb  Sb5  4  0.2487  0.3734  0.9986  1
]