data_[Pu2Zr8Sc10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8393]
_cell_length_b [3.2017]
_cell_length_c [9.6603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuZr4Sc5]
_chemical_formula_sum '[Pu2 Zr8 Sc10]'
_cell_volume [495.6839]
_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
[
  Pu  Pu0  2  0.0000  0.5000  0.0000  1
  Zr  Zr1  4  0.0289  0.0000  0.2660  1
  Zr  Zr2  4  0.1754  0.5000  0.5011  1
  Sc  Sc3  4  0.1618  0.0000  0.8215  1
  Sc  Sc4  4  0.1757  0.0000  0.1791  1
  Sc  Sc5  2  0.0000  0.5000  0.5000  1
]