data_[Y14Pu1Sc1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pu  1.2800  1.7500  0.9675
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [7.0949]
_cell_length_b [7.0949]
_cell_length_c [9.9752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Y14PuSc]
_chemical_formula_sum '[Y14 Pu1 Sc1]'
_cell_volume [502.1244]
_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
[
  Y  Y0  8  0.2499  0.2499  0.2444  1
  Y  Y1  2  0.0000  0.5000  0.0000  1
  Y  Y2  2  0.0000  0.5000  0.5000  1
  Y  Y3  1  0.0000  0.0000  0.5000  1
  Y  Y4  1  0.5000  0.5000  0.5000  1
  Pu  Pu5  1  0.5000  0.5000  0.0000  1
  Sc  Sc6  1  0.0000  0.0000  0.0000  1
]