# generated using pymatgen data_Zr3Ti3Si2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97005123 _cell_length_b 6.97005159 _cell_length_c 3.77495409 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000769 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Ti3Si2As _chemical_formula_sum 'Zr3 Ti3 Si2 As1' _cell_volume 158.82330716 _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 0.40469289 0.40862673 0.50000000 1.0 Zr Zr1 1 0.59137327 0.99606617 0.50000000 1.0 Zr Zr2 1 0.00393383 0.59530711 0.50000000 1.0 Ti Ti3 1 0.00166324 0.24381072 0.00000000 1.0 Ti Ti4 1 0.24214748 0.99833676 0.00000000 1.0 Ti Ti5 1 0.75618928 0.75785252 0.00000000 1.0 Si Si6 1 0.00000000 0.00000000 0.50000000 1.0 Si Si7 1 0.33333300 0.66666700 0.00000000 1.0 As As8 1 0.66666700 0.33333300 0.00000000 1.0