| # generated using pymatgen | |
| data_Ga2NiPd | |
| _symmetry_space_group_name_H-M 'P 1' | |
| _cell_length_a 4.30160646 | |
| _cell_length_b 4.33741362 | |
| _cell_length_c 4.30169159 | |
| _cell_angle_alpha 60.15460978 | |
| _cell_angle_beta 60.27703171 | |
| _cell_angle_gamma 60.59568016 | |
| _symmetry_Int_Tables_number 1 | |
| _chemical_formula_structural Ga2NiPd | |
| _chemical_formula_sum 'Ga2 Ni1 Pd1' | |
| _cell_volume 57.19047687 | |
| _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 | |
| Ga Ga0 1 0.85671580 0.37403169 0.88338685 1 | |
| Ga Ga1 1 0.13434869 0.63238645 0.12731135 1 | |
| Pd Pd2 1 0.38011268 0.86765081 0.36821011 1 | |
| Ni Ni3 1 0.62882280 0.12593104 0.62109172 1 | |