# generated using pymatgen data_NaZrNi12As7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.26844890 _cell_length_b 9.26844825 _cell_length_c 3.72334213 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000581 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrNi12As7 _chemical_formula_sum 'Na1 Zr1 Ni12 As7' _cell_volume 276.99864204 _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 Na Na0 1 0.33333300 0.66666700 0.50000000 1.0 Zr Zr1 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni2 1 0.82422627 0.61420483 0.00000000 1.0 Ni Ni3 1 0.38579517 0.21002243 0.00000000 1.0 Ni Ni4 1 0.78997757 0.17577373 0.00000000 1.0 Ni Ni5 1 0.04425080 0.75994306 0.50000000 1.0 Ni Ni6 1 0.24005694 0.28430774 0.50000000 1.0 Ni Ni7 1 0.71569226 0.95574920 0.50000000 1.0 Ni Ni8 1 0.10093006 0.38245810 0.00000000 1.0 Ni Ni9 1 0.61754190 0.71847296 0.00000000 1.0 Ni Ni10 1 0.28152704 0.89906994 0.00000000 1.0 Ni Ni11 1 0.87662419 0.42503234 0.50000000 1.0 Ni Ni12 1 0.57496766 0.45159185 0.50000000 1.0 Ni Ni13 1 0.54840815 0.12337581 0.50000000 1.0 As As14 1 0.66666700 0.33333300 0.00000000 1.0 As As15 1 0.78393571 0.74672786 0.50000000 1.0 As As16 1 0.25327214 0.03720785 0.50000000 1.0 As As17 1 0.96279215 0.21606429 0.50000000 1.0 As As18 1 0.07726887 0.61977588 0.00000000 1.0 As As19 1 0.38022412 0.45749198 0.00000000 1.0 As As20 1 0.54250802 0.92273113 0.00000000 1.0