# generated using pymatgen data_Zr6Si7Ni16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.05053086 _cell_length_b 8.05063537 _cell_length_c 8.05055317 _cell_angle_alpha 60.00447611 _cell_angle_beta 60.00407007 _cell_angle_gamma 60.00439540 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Si7Ni16 _chemical_formula_sum 'Zr6 Si7 Ni16' _cell_volume 368.98428853 _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 Zr Zr0 1 0.79207744 0.20791564 0.79207679 1.0 Zr Zr1 1 0.79207601 0.79207855 0.20791812 1.0 Zr Zr2 1 0.20791895 0.79207851 0.79207553 1.0 Zr Zr3 1 0.20792755 0.20792104 0.79208012 1.0 Zr Zr4 1 0.79208000 0.20792195 0.20792738 1.0 Zr Zr5 1 0.20792483 0.79208175 0.20792350 1.0 Si Si6 1 0.99999290 0.50000557 0.99999329 1.0 Si Si7 1 0.49999905 0.49999890 0.49999984 1.0 Si Si8 1 0.50000166 0.50000299 -0.00000048 1.0 Si Si9 1 0.50000218 -0.00000100 0.50000274 1.0 Si Si10 1 -0.00000023 0.50000195 0.50000180 1.0 Si Si11 1 0.99999298 0.99999272 0.50000550 1.0 Si Si12 1 0.50000551 0.99999245 0.99999306 1.0 Ni Ni13 1 0.16943548 0.16944570 0.16943888 1.0 Ni Ni14 1 0.61852258 0.61849854 0.14446240 1.0 Ni Ni15 1 0.38149830 0.38152416 0.38150320 1.0 Ni Ni16 1 0.16942795 0.49169873 0.16943079 1.0 Ni Ni17 1 0.16942845 0.16943798 0.49168982 1.0 Ni Ni18 1 0.14446164 0.61850115 0.61851854 1.0 Ni Ni19 1 0.61851679 0.14446236 0.61851002 1.0 Ni Ni20 1 0.83054217 0.83053070 0.83053962 1.0 Ni Ni21 1 0.85546337 0.38152854 0.38150800 1.0 Ni Ni22 1 0.38150436 0.38153102 0.85546320 1.0 Ni Ni23 1 0.38151153 0.85546193 0.38151711 1.0 Ni Ni24 1 0.50837839 0.83053824 0.83054742 1.0 Ni Ni25 1 0.61852479 0.61850208 0.61851907 1.0 Ni Ni26 1 0.83054943 0.83053897 0.50837594 1.0 Ni Ni27 1 0.49168785 0.16943825 0.16943107 1.0 Ni Ni28 1 0.83054809 0.50837062 0.83054672 1.0