data_[Pu3Tl3Cr3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.4456]
_cell_length_b [8.4456]
_cell_length_c [3.2377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [PuTlCr]
_chemical_formula_sum '[Pu3 Tl3 Cr3]'
_cell_volume [200.0000]
_cell_formula_units_Z [3]
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  3  0.0000  0.3797  0.5000  1
  Tl  Tl1  3  0.0000  0.7107  0.0000  1
  Cr  Cr2  2  0.3333  0.6667  0.0000  1
  Cr  Cr3  1  0.0000  0.0000  0.5000  1
]