data_[Sm4Y15Sc1]
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 [P4/mmm]
_cell_length_a [5.0520]
_cell_length_b [5.0520]
_cell_length_c [25.1879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sm4Y15Sc]
_chemical_formula_sum '[Sm4 Y15 Sc1]'
_cell_volume [642.8543]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.1977  1
  Sm  Sm1  2  0.0000  0.0000  0.3989  1
  Y  Y2  4  0.0000  0.5000  0.0958  1
  Y  Y3  4  0.0000  0.5000  0.2978  1
  Y  Y4  2  0.0000  0.5000  0.5000  1
  Y  Y5  2  0.5000  0.5000  0.1967  1
  Y  Y6  2  0.5000  0.5000  0.3991  1
  Y  Y7  1  0.5000  0.5000  0.0000  1
  Sc  Sc8  1  0.0000  0.0000  0.0000  1
]