data_[Pu4As12Rh20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  As  2.1800  1.1500  0.6600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9933]
_cell_length_b [12.6756]
_cell_length_c [12.3563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PuAs3Rh5]
_chemical_formula_sum '[Pu4 As12 Rh20]'
_cell_volume [625.4415]
_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
[
  Pu  Pu0  4  0.0000  0.1511  0.2500  1
  As  As1  8  0.0000  0.3865  0.5527  1
  As  As2  4  0.0000  0.1121  0.7500  1
  Rh  Rh3  8  0.0000  0.2041  0.5727  1
  Rh  Rh4  8  0.0000  0.4376  0.1393  1
  Rh  Rh5  4  0.0000  0.0000  0.0000  1
]