# generated using pymatgen data_Zr2Ni7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64304076 _cell_length_b 4.69143476 _cell_length_c 12.05508213 _cell_angle_alpha 87.25040385 _cell_angle_beta 84.43689841 _cell_angle_gamma 60.34066854 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Ni7 _chemical_formula_sum 'Zr4 Ni14' _cell_volume 227.11157773 _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 Zr Zr0 1 0.77739997 0.00000000 0.61359183 1.0 Zr Zr1 1 0.22260003 -0.00000000 0.38640817 1.0 Zr Zr2 1 0.72245652 0.00000000 0.88605095 1.0 Zr Zr3 1 0.27754348 -0.00000000 0.11394905 1.0 Ni Ni4 1 0.74993113 0.00000000 0.24998301 1.0 Ni Ni5 1 0.25006887 -0.00000000 0.75001699 1.0 Ni Ni6 1 0.96064818 0.66687162 0.07831111 1.0 Ni Ni7 1 0.37247920 0.66687162 0.92168889 1.0 Ni Ni8 1 0.03935182 0.33312838 0.92168889 1.0 Ni Ni9 1 0.62752080 0.33312838 0.07831111 1.0 Ni Ni10 1 0.87272498 0.66675324 0.42162947 1.0 Ni Ni11 1 0.46052078 0.66675324 0.57836953 1.0 Ni Ni12 1 0.12727502 0.33324676 0.57836953 1.0 Ni Ni13 1 0.53947922 0.33324676 0.42162947 1.0 Ni Ni14 1 0.74987626 0.50003221 0.24998852 1.0 Ni Ni15 1 0.75009152 0.50003221 0.75001148 1.0 Ni Ni16 1 0.25012374 0.49996779 0.75001148 1.0 Ni Ni17 1 0.24990848 0.49996779 0.24998852 1.0