data_[Pu12Mn6Ga36Cu6]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.2926]
_cell_length_b [6.2926]
_cell_length_c [33.0533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pu2MnGa6Cu]
_chemical_formula_sum '[Pu12 Mn6 Ga36 Cu6]'
_cell_volume [1133.4478]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1224  1
  Pu  Pu1  6  0.0000  0.0000  0.2965  1
  Mn  Mn2  3  -0.0000  -0.0000  0.5000  1
  Mn  Mn3  3  0.0000  0.0000  0.0000  1
  Ga  Ga4  18  0.0116  0.5058  0.2906  1
  Ga  Ga5  18  0.0595  0.5297  0.8745  1
  Cu  Cu6  6  0.0000  0.0000  0.4243  1
]