# generated using pymatgen data_Si2Ni3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07645943 _cell_length_b 8.07645943 _cell_length_c 6.87054356 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.03746245 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2Ni3 _chemical_formula_sum 'Si16 Ni24' _cell_volume 444.78371560 _cell_formula_units_Z 8 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 Si Si0 1 0.59257659 0.59257659 0.25000000 1.0 Si Si1 1 0.40742341 0.40742341 0.75000000 1.0 Si Si2 1 0.84450394 0.84450394 0.75000000 1.0 Si Si3 1 0.15549606 0.15549606 0.25000000 1.0 Si Si4 1 0.49300822 0.18922518 0.45780596 1.0 Si Si5 1 0.50699178 0.81077482 0.95780596 1.0 Si Si6 1 0.81077482 0.50699178 0.95780596 1.0 Si Si7 1 0.18922518 0.49300822 0.45780596 1.0 Si Si8 1 0.49300822 0.18922518 0.04219404 1.0 Si Si9 1 0.50699178 0.81077482 0.54219404 1.0 Si Si10 1 0.81077482 0.50699178 0.54219404 1.0 Si Si11 1 0.18922518 0.49300822 0.04219404 1.0 Si Si12 1 0.17527621 0.93838853 0.75000000 1.0 Si Si13 1 0.82472379 0.06161147 0.25000000 1.0 Si Si14 1 0.06161147 0.82472379 0.25000000 1.0 Si Si15 1 0.93838853 0.17527621 0.75000000 1.0 Ni Ni16 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni17 1 0.00000000 0.00000000 -0.00000000 1.0 Ni Ni18 1 0.23467731 0.23467731 0.56151340 1.0 Ni Ni19 1 0.76532269 0.76532269 0.06151340 1.0 Ni Ni20 1 0.23467731 0.23467731 0.93848660 1.0 Ni Ni21 1 0.76532269 0.76532269 0.43848660 1.0 Ni Ni22 1 0.38280381 0.38280381 0.25000000 1.0 Ni Ni23 1 0.61719619 0.61719619 0.75000000 1.0 Ni Ni24 1 0.67796841 0.31495527 0.75000000 1.0 Ni Ni25 1 0.32203159 0.68504473 0.25000000 1.0 Ni Ni26 1 0.68504473 0.32203159 0.25000000 1.0 Ni Ni27 1 0.31495527 0.67796841 0.75000000 1.0 Ni Ni28 1 0.44334484 0.04980518 0.75000000 1.0 Ni Ni29 1 0.55665516 0.95019482 0.25000000 1.0 Ni Ni30 1 0.95019482 0.55665516 0.25000000 1.0 Ni Ni31 1 0.04980518 0.44334484 0.75000000 1.0 Ni Ni32 1 0.29099087 0.94607872 0.43994073 1.0 Ni Ni33 1 0.70900913 0.05392128 0.93994073 1.0 Ni Ni34 1 0.05392128 0.70900913 0.93994073 1.0 Ni Ni35 1 0.94607872 0.29099087 0.43994073 1.0 Ni Ni36 1 0.29099087 0.94607872 0.06005927 1.0 Ni Ni37 1 0.70900913 0.05392128 0.56005927 1.0 Ni Ni38 1 0.05392128 0.70900913 0.56005927 1.0 Ni Ni39 1 0.94607872 0.29099087 0.06005927 1.0