| # generated using pymatgen | |
| data_Hf2NiOs | |
| _symmetry_space_group_name_H-M 'P 1' | |
| _cell_length_a 4.52438392 | |
| _cell_length_b 4.59186629 | |
| _cell_length_c 4.55246167 | |
| _cell_angle_alpha 59.93557110 | |
| _cell_angle_beta 60.13696331 | |
| _cell_angle_gamma 60.68188136 | |
| _symmetry_Int_Tables_number 1 | |
| _chemical_formula_structural Hf2NiOs | |
| _chemical_formula_sum 'Hf2 Ni1 Os1' | |
| _cell_volume 67.25210381 | |
| _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 | |
| Hf Hf0 1 0.62782019 0.87078762 0.38920969 1 | |
| Hf Hf1 1 0.12700638 0.37944362 0.88527018 1 | |
| Ni Ni2 1 0.87218058 0.12870103 0.60666883 1 | |
| Os Os3 1 0.37299281 0.62106770 0.11885133 1 | |