| # generated using pymatgen | |
| data_Mg2Zn | |
| _symmetry_space_group_name_H-M 'P 1' | |
| _cell_length_a 2.95182304 | |
| _cell_length_b 5.63656756 | |
| _cell_length_c 7.67770308 | |
| _cell_angle_alpha 102.99977731 | |
| _cell_angle_beta 89.52185216 | |
| _cell_angle_gamma 106.44777527 | |
| _symmetry_Int_Tables_number 1 | |
| _chemical_formula_structural Mg2Zn | |
| _chemical_formula_sum 'Mg4 Zn2' | |
| _cell_volume 119.16580821 | |
| _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 | |
| Mg Mg0 1 0.01497401 0.71082425 0.61862814 1 | |
| Mg Mg1 1 0.06270331 0.67725027 0.08090395 1 | |
| Mg Mg2 1 0.31997079 0.36392820 0.27890942 1 | |
| Mg Mg3 1 0.31117636 0.34329623 0.70108527 1 | |
| Zn Zn4 1 0.62510502 0.89863849 0.40585709 1 | |
| Zn Zn5 1 0.66607058 0.00606258 0.91461611 1 | |