| # generated using pymatgen | |
| data_YHg2Bi | |
| _symmetry_space_group_name_H-M 'P 1' | |
| _cell_length_a 5.30812037 | |
| _cell_length_b 5.36282647 | |
| _cell_length_c 5.38049803 | |
| _cell_angle_alpha 59.65713728 | |
| _cell_angle_beta 59.95030436 | |
| _cell_angle_gamma 59.95023701 | |
| _symmetry_Int_Tables_number 1 | |
| _chemical_formula_structural YHg2Bi | |
| _chemical_formula_sum 'Y1 Hg2 Bi1' | |
| _cell_volume 107.93911008 | |
| _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 | |
| Y Y0 1 0.86464626 0.14279211 0.36910018 1 | |
| Bi Bi1 1 0.37517267 0.60206723 0.88089240 1 | |
| Hg Hg2 1 0.62953770 0.87153924 0.15068285 1 | |
| Hg Hg3 1 0.13064337 0.38360140 0.59932458 1 | |