data_[Pu2Mg1Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Mg  1.3100  1.5000  0.8600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.5257]
_cell_length_b [3.4975]
_cell_length_c [7.3188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pu2MgRh3]
_chemical_formula_sum '[Pu2 Mg1 Rh3]'
_cell_volume [111.0450]
_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
[
  Pu  Pu0  2  0.3469  0.0000  0.6745  1
  Mg  Mg1  1  0.0000  0.0000  0.0000  1
  Rh  Rh2  2  0.1445  0.5000  0.3151  1
  Rh  Rh3  1  0.5000  0.5000  0.0000  1
]