data_[Li4Pu4Sc4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pu  1.2800  1.7500  0.9675
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.5117]
_cell_length_b [9.0389]
_cell_length_c [7.6446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8769]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiPuScO5]
_chemical_formula_sum '[Li4 Pu4 Sc4 O20]'
_cell_volume [411.4426]
_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
[
  Li  Li0  4  0.0000  0.3110  0.2500  1
  Pu  Pu1  4  0.0000  0.0000  0.0000  1
  Sc  Sc2  4  0.0000  0.3675  0.7500  1
  O  O3  8  0.1481  0.1741  0.1560  1
  O  O4  8  0.1671  0.4572  0.4329  1
  O  O5  4  0.0000  0.1282  0.7500  1
]