# generated using pymatgen data_NaHfNiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05809347 _cell_length_b 4.05809353 _cell_length_c 13.80868917 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999163 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHfNiAs2 _chemical_formula_sum 'Na2 Hf2 Ni2 As4' _cell_volume 196.93695596 _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 Na Na0 1 0.66666700 0.33333300 0.39382812 1.0 Na Na1 1 0.33333300 0.66666700 0.89382812 1.0 Hf Hf2 1 0.33333300 0.66666700 0.62304080 1.0 Hf Hf3 1 0.66666700 0.33333300 0.12304080 1.0 Ni Ni4 1 0.00000000 0.00000000 0.70756605 1.0 Ni Ni5 1 0.00000000 0.00000000 0.20756605 1.0 As As6 1 0.33333300 0.66666700 0.24723698 1.0 As As7 1 0.00000000 0.00000000 0.02832806 1.0 As As8 1 0.00000000 0.00000000 0.52832806 1.0 As As9 1 0.66666700 0.33333300 0.74723698 1.0