# generated using pymatgen data_ZrTi2NbSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63567286 _cell_length_b 6.91924824 _cell_length_c 11.94293453 _cell_angle_alpha 89.87686433 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTi2NbSi2 _chemical_formula_sum 'Zr3 Ti6 Nb3 Si6' _cell_volume 300.43723653 _cell_formula_units_Z 3 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 0.50000000 0.29530774 0.29565554 1.0 Zr Zr1 1 0.50000000 0.29441291 0.70603996 1.0 Zr Zr2 1 0.50000000 0.79569489 0.20310287 1.0 Ti Ti3 1 0.00000000 0.75181442 0.99737943 1.0 Ti Ti4 1 0.00000000 0.24817035 0.50222011 1.0 Ti Ti5 1 0.00000000 0.62756983 0.62710161 1.0 Ti Ti6 1 0.00000000 0.12482982 0.12382989 1.0 Ti Ti7 1 0.00000000 0.12760561 0.87320296 1.0 Ti Ti8 1 0.00000000 0.62556006 0.37435985 1.0 Nb Nb9 1 0.50000000 0.40841033 0.99801394 1.0 Nb Nb10 1 0.50000000 0.90562872 0.50282223 1.0 Nb Nb11 1 0.50000000 0.79432838 0.79657760 1.0 Si Si12 1 0.00000000 0.99378454 0.66719032 1.0 Si Si13 1 0.00000000 0.49749665 0.16106845 1.0 Si Si14 1 0.00000000 0.50427087 0.83582159 1.0 Si Si15 1 0.00000000 0.99687708 0.33822929 1.0 Si Si16 1 0.50000000 0.00455837 0.99732223 1.0 Si Si17 1 0.50000000 0.50387942 0.50006312 1.0