| # generated using pymatgen | |
| data_Pu3C4 | |
| _symmetry_space_group_name_H-M 'P 1' | |
| _cell_length_a 3.28708672 | |
| _cell_length_b 3.31391552 | |
| _cell_length_c 8.90846303 | |
| _cell_angle_alpha 79.50659727 | |
| _cell_angle_beta 79.49866169 | |
| _cell_angle_gamma 60.19824743 | |
| _symmetry_Int_Tables_number 1 | |
| _chemical_formula_structural Pu3C4 | |
| _chemical_formula_sum 'Pu3 C4' | |
| _cell_volume 82.31905114 | |
| _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 | |
| Pu Pu0 1 0.02947732 0.36613598 0.88212955 1 | |
| Pu Pu1 1 0.53043997 0.07327191 0.44017953 1 | |
| Pu Pu2 1 0.48861554 0.87140906 0.18274070 1 | |
| C C3 1 0.67996687 0.14294416 0.23840068 1 | |
| C C4 1 0.29169542 0.64051360 0.54961717 1 | |
| C C5 1 0.38754803 0.75957626 0.03252853 1 | |
| C C6 1 0.59225690 0.14614901 0.67440379 1 | |