# generated using pymatgen data_Hf2SiNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99219105 _cell_length_b 4.99219105 _cell_length_c 7.77815200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998746 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2SiNi3 _chemical_formula_sum 'Hf4 Si2 Ni6' _cell_volume 167.87634599 _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 Hf Hf0 1 0.33333300 0.66666700 0.44554300 1.0 Hf Hf1 1 0.66666700 0.33333300 0.55445700 1.0 Hf Hf2 1 0.66666700 0.33333300 0.94554300 1.0 Hf Hf3 1 0.33333300 0.66666700 0.05445700 1.0 Si Si4 1 0.00000000 0.00000000 0.50000000 1.0 Si Si5 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni6 1 0.83279600 0.16720400 0.25000000 1.0 Ni Ni7 1 0.83279600 0.66559200 0.25000000 1.0 Ni Ni8 1 0.33440800 0.16720400 0.25000000 1.0 Ni Ni9 1 0.16720400 0.83279600 0.75000000 1.0 Ni Ni10 1 0.16720400 0.33440800 0.75000000 1.0 Ni Ni11 1 0.66559200 0.83279600 0.75000000 1.0