data_[Tb8Er14Pu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Pu  1.2800  1.7500  0.9675
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9568]
_cell_length_b [13.4564]
_cell_length_c [5.9158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb4Er7Pu]
_chemical_formula_sum '[Tb8 Er14 Pu2]'
_cell_volume [748.6507]
_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
[
  Tb  Tb0  8  0.2213  0.3686  0.9637  1
  Er  Er1  8  0.0821  0.2306  0.3282  1
  Er  Er2  4  0.1145  0.5000  0.3625  1
  Er  Er3  2  0.0000  0.0000  0.5000  1
  Pu  Pu4  2  0.0000  0.0000  0.0000  1
]