| # generated using pymatgen | |
| data_YGe3Ru | |
| _symmetry_space_group_name_H-M 'P 1' | |
| _cell_length_a 4.20599386 | |
| _cell_length_b 4.31883215 | |
| _cell_length_c 5.60934325 | |
| _cell_angle_alpha 111.29019771 | |
| _cell_angle_beta 111.35112127 | |
| _cell_angle_gamma 91.85411095 | |
| _symmetry_Int_Tables_number 1 | |
| _chemical_formula_structural YGe3Ru | |
| _chemical_formula_sum 'Y1 Ge3 Ru1' | |
| _cell_volume 86.81953467 | |
| _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 0.37706283 0.41121227 0.16523059 1 | |
| Ge Ge1 1 0.00290275 0.02486664 0.48205942 1 | |
| Ge Ge2 1 0.82769436 0.74404478 0.95044887 1 | |
| Ge Ge3 1 0.61007696 0.16133246 0.71630663 1 | |
| Ru Ru4 1 0.18226317 0.65854388 0.68595445 1 | |