| # generated using pymatgen | |
| data_LuSiRh | |
| _symmetry_space_group_name_H-M 'P 1' | |
| _cell_length_a 3.86174825 | |
| _cell_length_b 3.83695332 | |
| _cell_length_c 6.36124671 | |
| _cell_angle_alpha 90.14983166 | |
| _cell_angle_beta 90.09148059 | |
| _cell_angle_gamma 90.70861008 | |
| _symmetry_Int_Tables_number 1 | |
| _chemical_formula_structural LuSiRh | |
| _chemical_formula_sum 'Lu2 Si2 Rh2' | |
| _cell_volume 94.24914886 | |
| _cell_formula_units_Z 2 | |
| 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 | |
| Lu Lu0 1 0.67555362 0.25261450 0.10719573 1 | |
| Lu Lu1 1 0.68198395 0.76466131 0.56625724 1 | |
| Si Si2 1 0.16363278 0.26128927 0.43435085 1 | |
| Si Si3 1 0.16435209 0.74910158 0.89910215 1 | |
| Rh Rh4 1 0.16184637 0.75408530 0.24024293 1 | |
| Rh Rh5 1 0.15263125 0.21824801 0.75285113 1 | |