# generated using pymatgen
data_PuTlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13171100
_cell_length_b   6.13099400
_cell_length_c   8.65726400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuTlO3
_chemical_formula_sum   'Pu4 Tl4 O12'
_cell_volume   325.45671005
_cell_formula_units_Z   4
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  1  0.50000000  0.00000000  0.00000000  1.0
  Pu  Pu1  1  0.00000000  0.50000000  0.50000000  1.0
  Pu  Pu2  1  0.00000000  0.50000000  0.00000000  1.0
  Pu  Pu3  1  0.50000000  0.00000000  0.50000000  1.0
  Tl  Tl4  1  0.99975500  0.00029800  0.75000000  1.0
  Tl  Tl5  1  0.49975500  0.49970200  0.75000000  1.0
  Tl  Tl6  1  0.50024500  0.50029800  0.25000000  1.0
  Tl  Tl7  1  0.00024500  0.99970200  0.25000000  1.0
  O  O8  1  0.49968200  0.00219600  0.75000000  1.0
  O  O9  1  0.99968200  0.49780400  0.75000000  1.0
  O  O10  1  0.00031800  0.50219600  0.25000000  1.0
  O  O11  1  0.50031800  0.99780400  0.25000000  1.0
  O  O12  1  0.76457700  0.26371200  0.00106000  1.0
  O  O13  1  0.26457700  0.23628800  0.49894000  1.0
  O  O14  1  0.73542300  0.76371200  0.99894000  1.0
  O  O15  1  0.23542400  0.73628800  0.50106000  1.0
  O  O16  1  0.23542400  0.73628800  0.99894000  1.0
  O  O17  1  0.73542300  0.76371200  0.50106000  1.0
  O  O18  1  0.26457700  0.23628800  0.00106000  1.0
  O  O19  1  0.76457700  0.26371200  0.49894000  1.0