data_[Sm20Y8Sc4]
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 [Cmcm]
_cell_length_a [5.5663]
_cell_length_b [11.8289]
_cell_length_c [16.0242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm5Y2Sc]
_chemical_formula_sum '[Sm20 Y8 Sc4]'
_cell_volume [1055.0848]
_cell_formula_units_Z [4]
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  0.0000  0.0819  0.0905  1
  Sm  Sm1  8  0.0000  0.3865  0.0544  1
  Sm  Sm2  4  0.0000  0.4699  0.7500  1
  Y  Y3  8  0.0000  0.2252  0.6355  1
  Sc  Sc4  4  0.0000  0.2533  0.2500  1
]