# generated using pymatgen
data_Ca3PuTi4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68879507
_cell_length_b   5.40367478
_cell_length_c   5.48884434
_cell_angle_alpha   89.65634054
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3PuTi4O12
_chemical_formula_sum   'Ca3 Pu1 Ti4 O12'
_cell_volume   228.04501915
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.50000000  0.49103708  0.54375051  1.0
  Ca  Ca1  1  0.00000000  0.99328817  0.95555034  1.0
  Ca  Ca2  1  0.00000000  0.50792395  0.45855123  1.0
  Pu  Pu3  1  0.50000000  0.00488762  0.04195743  1.0
  Ti  Ti4  1  0.24747622  0.99888038  0.50076548  1.0
  Ti  Ti5  1  0.75320438  0.50083520  0.00004350  1.0
  Ti  Ti6  1  0.75252378  0.99888038  0.50076548  1.0
  Ti  Ti7  1  0.24679562  0.50083520  0.00004350  1.0
  O  O8  1  0.50000000  0.57629863  0.97611855  1.0
  O  O9  1  0.50000000  0.92456670  0.48921407  1.0
  O  O10  1  0.00000000  0.42589536  0.02498238  1.0
  O  O11  1  0.00000000  0.07681369  0.51607803  1.0
  O  O12  1  0.78315399  0.79768334  0.20379697  1.0
  O  O13  1  0.20924917  0.70691747  0.70769437  1.0
  O  O14  1  0.28816094  0.20434285  0.79514943  1.0
  O  O15  1  0.70536215  0.29098617  0.28944997  1.0
  O  O16  1  0.71183906  0.20434285  0.79514943  1.0
  O  O17  1  0.29463785  0.29098617  0.28944997  1.0
  O  O18  1  0.21684601  0.79768334  0.20379697  1.0
  O  O19  1  0.79075083  0.70691747  0.70769437  1.0