# generated using pymatgen data_Zr3Ti3Si2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14170934 _cell_length_b 7.14170924 _cell_length_c 3.86714624 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000502 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Ti3Si2Bi _chemical_formula_sum 'Zr3 Ti3 Si2 Bi1' _cell_volume 170.81481750 _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 0.38898731 0.97929497 0.50000000 1.0 Zr Zr1 1 0.02070503 0.40969234 0.50000000 1.0 Zr Zr2 1 0.59030866 0.61101269 0.50000000 1.0 Ti Ti3 1 0.76040896 0.98899706 0.00000000 1.0 Ti Ti4 1 0.22858910 0.23959104 0.00000000 1.0 Ti Ti5 1 0.01100294 0.77141190 0.00000000 1.0 Si Si6 1 0.33333300 0.66666600 0.00000000 1.0 Si Si7 1 0.00000000 0.00000000 0.50000000 1.0 Bi Bi8 1 0.66666700 0.33333400 0.00000000 1.0