# generated using pymatgen data_Zr4TiGaBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49169526 _cell_length_b 8.36893679 _cell_length_c 8.36893639 _cell_angle_alpha 83.82017039 _cell_angle_beta 70.84652524 _cell_angle_gamma 70.84652267 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4TiGaBi2 _chemical_formula_sum 'Zr8 Ti2 Ga2 Bi4' _cell_volume 343.22783055 _cell_formula_units_Z 2 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 0.71071097 0.86659482 0.71198223 1.0 Zr Zr1 1 0.28928903 0.13340518 0.28801777 1.0 Zr Zr2 1 0.78928903 0.28801777 0.13340518 1.0 Zr Zr3 1 0.21071097 0.71198223 0.86659482 1.0 Zr Zr4 1 0.57730580 0.71198223 0.13340518 1.0 Zr Zr5 1 0.42269420 0.28801777 0.86659482 1.0 Zr Zr6 1 0.07730580 0.13340518 0.71198223 1.0 Zr Zr7 1 0.92269420 0.86659482 0.28801777 1.0 Ti Ti8 1 0.75000000 0.50000000 0.50000000 1.0 Ti Ti9 1 0.25000000 0.50000000 0.50000000 1.0 Ga Ga10 1 0.25000000 0.00000000 0.00000000 1.0 Ga Ga11 1 0.75000000 0.00000000 0.00000000 1.0 Bi Bi12 1 0.15794220 0.50000000 0.18411759 1.0 Bi Bi13 1 0.84205780 0.50000000 0.81588241 1.0 Bi Bi14 1 0.34205780 0.81588241 0.50000000 1.0 Bi Bi15 1 0.65794220 0.18411759 0.50000000 1.0