data_[Sm48Y4Sc8]
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 [C2/m]
_cell_length_a [6.9390]
_cell_length_b [11.2981]
_cell_length_c [25.1528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0945]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm12YSc2]
_chemical_formula_sum '[Sm48 Y4 Sc8]'
_cell_volume [1960.7629]
_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  0.0215  0.2206  0.9295  1
  Sm  Sm1  8  0.0875  0.7382  0.4430  1
  Sm  Sm2  8  0.1747  0.7167  0.6735  1
  Sm  Sm3  8  0.1918  0.2146  0.7994  1
  Sm  Sm4  4  0.1465  0.5000  0.1185  1
  Sm  Sm5  4  0.1861  0.0000  0.1628  1
  Sm  Sm6  4  0.2084  0.0000  0.6065  1
  Sm  Sm7  4  0.2173  0.5000  0.5591  1
  Y  Y8  4  0.2421  0.5000  0.9838  1
  Sc  Sc9  4  0.0375  0.0000  0.2853  1
  Sc  Sc10  4  0.0535  0.5000  0.2628  1
]