| # generated using pymatgen | |
| data_Sr | |
| _symmetry_space_group_name_H-M 'P 1' | |
| _cell_length_a 3.99975066 | |
| _cell_length_b 4.07130374 | |
| _cell_length_c 10.00811637 | |
| _cell_angle_alpha 78.21814280 | |
| _cell_angle_beta 77.12727370 | |
| _cell_angle_gamma 61.28464515 | |
| _symmetry_Int_Tables_number 1 | |
| _chemical_formula_structural Sr | |
| _chemical_formula_sum Sr3 | |
| _cell_volume 138.43654730 | |
| _cell_formula_units_Z 3 | |
| 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 | |
| Sr Sr0 1 0.26228178 0.24615949 0.64950174 1 | |
| Sr Sr1 1 0.74636763 0.74500406 0.03002585 1 | |
| Sr Sr2 1 0.99135059 0.00883642 0.32047248 1 | |