data_[Pu2Mn6Ga18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.1612]
_cell_length_b [12.9155]
_cell_length_c [6.6971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu(MnGa3)3]
_chemical_formula_sum '[Pu2 Mn6 Ga18]'
_cell_volume [418.5281]
_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  0.0000  0.0000  1
  Mn  Mn1  4  0.2500  0.2500  0.0000  1
  Mn  Mn2  2  0.0000  0.5000  0.5000  1
  Ga  Ga3  8  0.0946  0.3863  0.2168  1
  Ga  Ga4  8  0.1665  0.8244  0.3322  1
  Ga  Ga5  2  0.0000  0.0000  0.5000  1
]