data_[Sm8Y10Sc8]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [12.5920]
_cell_length_b [12.5920]
_cell_length_c [4.9460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Sm4Y5Sc4]
_chemical_formula_sum '[Sm8 Y10 Sc8]'
_cell_volume [784.2326]
_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  0.0787  0.3803  0.0000  1
  Y  Y1  8  0.0426  0.1915  0.5000  1
  Y  Y2  2  0.0000  0.0000  0.0000  1
  Sc  Sc3  8  0.1555  0.7681  0.0000  1
]