| # generated using pymatgen | |
| data_SmInGa | |
| _symmetry_space_group_name_H-M 'P 1' | |
| _cell_length_a 3.84229676 | |
| _cell_length_b 4.65969896 | |
| _cell_length_c 6.84296267 | |
| _cell_angle_alpha 90.52485911 | |
| _cell_angle_beta 90.44860190 | |
| _cell_angle_gamma 90.68839478 | |
| _symmetry_Int_Tables_number 1 | |
| _chemical_formula_structural SmInGa | |
| _chemical_formula_sum 'Sm2 In2 Ga2' | |
| _cell_volume 122.49819083 | |
| _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 | |
| Sm Sm0 1 0.74435663 0.26951814 0.78764737 1 | |
| Sm Sm1 1 0.24103084 0.72153842 0.50903547 1 | |
| Ga Ga2 1 0.75346553 0.23810874 0.46182680 1 | |
| Ga Ga3 1 0.76145238 0.75157946 0.17889589 1 | |
| In In4 1 0.24468997 0.23967226 0.16714869 1 | |
| In In5 1 0.25500464 0.77958298 0.89544576 1 | |