# generated using pymatgen data_Zr6TiZn22As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.71643341 _cell_length_b 8.71643347 _cell_length_c 8.71643418 _cell_angle_alpha 60.00000464 _cell_angle_beta 60.00000439 _cell_angle_gamma 59.99999894 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6TiZn22As _chemical_formula_sum 'Zr6 Ti1 Zn22 As1' _cell_volume 468.27559000 _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 0.71353130 0.28646870 0.28646870 1.0 Zr Zr1 1 0.28646870 0.71353130 0.71353130 1.0 Zr Zr2 1 0.28646870 0.71353130 0.28646870 1.0 Zr Zr3 1 0.71353130 0.28646870 0.71353130 1.0 Zr Zr4 1 0.28646870 0.28646870 0.71353130 1.0 Zr Zr5 1 0.71353130 0.71353130 0.28646870 1.0 Ti Ti6 1 0.00000000 0.00000000 0.00000000 1.0 Zn Zn7 1 0.12298774 0.12298774 0.12298774 1.0 Zn Zn8 1 0.87701226 0.87701226 0.87701226 1.0 Zn Zn9 1 0.12298774 0.12298774 0.63103878 1.0 Zn Zn10 1 0.12298774 0.63103878 0.12298774 1.0 Zn Zn11 1 0.87701226 0.87701226 0.36896122 1.0 Zn Zn12 1 0.87701226 0.36896122 0.87701226 1.0 Zn Zn13 1 0.63103878 0.12298774 0.12298774 1.0 Zn Zn14 1 0.36896122 0.87701226 0.87701226 1.0 Zn Zn15 1 0.50000000 0.00000000 0.00000000 1.0 Zn Zn16 1 0.00000000 0.50000000 0.50000000 1.0 Zn Zn17 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn18 1 0.50000000 0.00000000 0.50000000 1.0 Zn Zn19 1 0.00000000 0.00000000 0.50000000 1.0 Zn Zn20 1 0.50000000 0.50000000 0.00000000 1.0 Zn Zn21 1 0.33346310 0.33346310 0.33346310 1.0 Zn Zn22 1 0.66653690 0.66653690 0.66653690 1.0 Zn Zn23 1 0.33346310 0.33346310 0.99961269 1.0 Zn Zn24 1 0.33346310 0.99961269 0.33346310 1.0 Zn Zn25 1 0.66653690 0.66653690 0.00038731 1.0 Zn Zn26 1 0.66653690 0.00038731 0.66653690 1.0 Zn Zn27 1 0.99961269 0.33346310 0.33346310 1.0 Zn Zn28 1 0.00038731 0.66653690 0.66653690 1.0 As As29 1 0.50000000 0.50000000 0.50000000 1.0