# generated using pymatgen data_Ga(SiNi3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71186030 _cell_length_b 4.94195579 _cell_length_c 21.36375849 _cell_angle_alpha 90.51949491 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga(SiNi3)2 _chemical_formula_sum 'Ga4 Si8 Ni24' _cell_volume 391.87746238 _cell_formula_units_Z 4 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 Ga Ga0 1 0.75000000 0.30158125 0.29635220 1.0 Ga Ga1 1 0.75000000 0.29544802 0.62973652 1.0 Ga Ga2 1 0.75000000 0.29521021 0.96210640 1.0 Ga Ga3 1 0.75000000 0.80142556 0.20406712 1.0 Si Si4 1 0.75000000 0.79222191 0.53922096 1.0 Si Si5 1 0.75000000 0.79282658 0.87108884 1.0 Si Si6 1 0.25000000 0.69456199 0.03493968 1.0 Si Si7 1 0.25000000 0.69604880 0.37081453 1.0 Si Si8 1 0.25000000 0.69525740 0.70315821 1.0 Si Si9 1 0.25000000 0.19493295 0.13029927 1.0 Si Si10 1 0.25000000 0.21052789 0.46355844 1.0 Si Si11 1 0.25000000 0.21005573 0.79581613 1.0 Ni Ni12 1 0.75000000 0.45359194 0.07048798 1.0 Ni Ni13 1 0.75000000 0.45663219 0.40592671 1.0 Ni Ni14 1 0.75000000 0.45675842 0.73806209 1.0 Ni Ni15 1 0.75000000 0.95364010 0.09381779 1.0 Ni Ni16 1 0.75000000 0.95512659 0.43355930 1.0 Ni Ni17 1 0.75000000 0.95504449 0.76469575 1.0 Ni Ni18 1 0.25000000 0.56577275 0.26202915 1.0 Ni Ni19 1 0.25000000 0.55911707 0.59470873 1.0 Ni Ni20 1 0.25000000 0.55812528 0.92644960 1.0 Ni Ni21 1 0.25000000 0.06499660 0.23830565 1.0 Ni Ni22 1 0.25000000 0.04893783 0.56792914 1.0 Ni Ni23 1 0.25000000 0.04891218 0.89990205 1.0 Ni Ni24 1 0.75000000 0.32713181 0.18402598 1.0 Ni Ni25 1 0.75000000 0.33499141 0.51930822 1.0 Ni Ni26 1 0.75000000 0.33473940 0.85125463 1.0 Ni Ni27 1 0.75000000 0.82735108 0.31718167 1.0 Ni Ni28 1 0.75000000 0.82213115 0.64773129 1.0 Ni Ni29 1 0.75000000 0.82168790 0.97920452 1.0 Ni Ni30 1 0.25000000 0.65968625 0.14164762 1.0 Ni Ni31 1 0.25000000 0.67237950 0.47948713 1.0 Ni Ni32 1 0.25000000 0.67306171 0.81137973 1.0 Ni Ni33 1 0.25000000 0.15716299 0.02301286 1.0 Ni Ni34 1 0.25000000 0.15734663 0.35838199 1.0 Ni Ni35 1 0.25000000 0.15557344 0.69035213 1.0