data_[Sm10Sc8Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [12.8138]
_cell_length_b [12.8138]
_cell_length_c [4.4583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Sm5(ScSn)4]
_chemical_formula_sum '[Sm10 Sc8 Sn8]'
_cell_volume [732.0309]
_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  8  0.1248  0.7944  0.5000  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Sc  Sc2  8  0.0844  0.4046  0.5000  1
  Sn  Sn3  8  0.0684  0.2448  0.0000  1
]