| # generated using pymatgen | |
| data_SrNdTl2 | |
| _symmetry_space_group_name_H-M 'P 1' | |
| _cell_length_a 5.62870583 | |
| _cell_length_b 5.70837349 | |
| _cell_length_c 5.70322015 | |
| _cell_angle_alpha 59.63106049 | |
| _cell_angle_beta 60.13164147 | |
| _cell_angle_gamma 59.93205608 | |
| _symmetry_Int_Tables_number 1 | |
| _chemical_formula_structural SrNdTl2 | |
| _chemical_formula_sum 'Sr1 Nd1 Tl2' | |
| _cell_volume 129.27232968 | |
| _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 | |
| Sr Sr0 1 0.61967146 0.61724508 0.86699331 1 | |
| Nd Nd1 1 0.13101524 0.11680027 0.37123442 1 | |
| Tl Tl2 1 0.86700565 0.87114882 0.14550078 1 | |
| Tl Tl3 1 0.38230765 0.39480582 0.61627150 1 | |