data_[Sm10Sc2Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6617]
_cell_length_b [13.2513]
_cell_length_c [7.6588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm5ScSb6]
_chemical_formula_sum '[Sm10 Sc2 Sb12]'
_cell_volume [733.0702]
_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  0.1708  0.5000  1.0
  Sm  Sm1  4  0.0000  0.3347  0.0000  1.0
  Sm  Sm2  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc3  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb4  8  0.2416  0.1613  0.2420  1.0
  Sb  Sb5  4  0.2399  0.0000  0.7538  1.0
]