# generated using pymatgen data_Zr3AlGa2Ni3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81226018 _cell_length_b 6.86402981 _cell_length_c 3.46455719 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.75081456 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3AlGa2Ni3 _chemical_formula_sum 'Zr3 Al1 Ga2 Ni3' _cell_volume 140.64807141 _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 0.99983131 0.40679492 0.50000000 1.0 Zr Zr1 1 0.59303639 0.59320508 0.50000000 1.0 Zr Zr2 1 0.40265158 0.00000000 0.50000000 1.0 Al Al3 1 0.75013751 1.00000000 0.00000000 1.0 Ga Ga4 1 0.99615675 0.74179935 0.00000000 1.0 Ga Ga5 1 0.25435840 0.25820065 0.00000000 1.0 Ni Ni6 1 0.00039851 1.00000000 0.50000000 1.0 Ni Ni7 1 0.33671797 0.67000638 0.00000000 1.0 Ni Ni8 1 0.66671259 0.32999362 0.00000000 1.0