data_[Pu12Te2Au10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0918]
_cell_length_b [5.1212]
_cell_length_c [7.5327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu6TeAu5]
_chemical_formula_sum '[Pu12 Te2 Au10]'
_cell_volume [593.1241]
_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  4  0.0106  0.5000  0.7522  1
  Pu  Pu1  4  0.1666  0.0000  0.4205  1
  Pu  Pu2  4  0.1733  0.0000  0.9221  1
  Te  Te3  2  0.0000  0.0000  0.0000  1
  Au  Au4  4  0.1663  0.5000  0.6521  1
  Au  Au5  4  0.1680  0.5000  0.1814  1
  Au  Au6  2  0.0000  0.0000  0.5000  1
]