# generated using pymatgen data_Ca9Zn4Bi9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65035906 _cell_length_b 12.73215442 _cell_length_c 22.15332961 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca9Zn4Bi9 _chemical_formula_sum 'Ca18 Zn8 Bi18' _cell_volume 1311.67847915 _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 Ca Ca0 1 0.50000000 0.50000000 0.50000000 1.0 Ca Ca1 1 0.50000000 -0.00000000 -0.00000000 1.0 Ca Ca2 1 -0.00000000 0.87356703 0.23482809 1.0 Ca Ca3 1 -0.00000000 0.12643297 0.76517191 1.0 Ca Ca4 1 0.00000000 0.37356703 0.26517191 1.0 Ca Ca5 1 0.00000000 0.62643297 0.73482809 1.0 Ca Ca6 1 0.50000000 0.70452486 0.10109786 1.0 Ca Ca7 1 0.50000000 0.29547514 0.89890214 1.0 Ca Ca8 1 0.50000000 0.20452486 0.39890214 1.0 Ca Ca9 1 0.50000000 0.79547514 0.60109786 1.0 Ca Ca10 1 0.00000000 0.92768657 0.41117706 1.0 Ca Ca11 1 -0.00000000 0.07231343 0.58882294 1.0 Ca Ca12 1 0.00000000 0.42768657 0.08882294 1.0 Ca Ca13 1 -0.00000000 0.57231343 0.91117706 1.0 Ca Ca14 1 -0.00000000 0.63093731 0.36199474 1.0 Ca Ca15 1 0.00000000 0.36906269 0.63800526 1.0 Ca Ca16 1 -0.00000000 0.13093731 0.13800526 1.0 Ca Ca17 1 0.00000000 0.86906269 0.86199474 1.0 Zn Zn18 1 0.50000000 0.72883342 0.95307698 1.0 Zn Zn19 1 0.50000000 0.27116658 0.04692302 1.0 Zn Zn20 1 0.50000000 0.22883342 0.54692302 1.0 Zn Zn21 1 0.50000000 0.77116658 0.45307698 1.0 Zn Zn22 1 0.50000000 0.88913861 0.76337958 1.0 Zn Zn23 1 0.50000000 0.11086139 0.23662042 1.0 Zn Zn24 1 0.50000000 0.38913861 0.73662042 1.0 Zn Zn25 1 0.50000000 0.61086139 0.26337958 1.0 Bi Bi26 1 0.50000000 -0.00000000 0.50000000 1.0 Bi Bi27 1 0.50000000 0.50000000 -0.00000000 1.0 Bi Bi28 1 -0.00000000 0.61339850 0.19392911 1.0 Bi Bi29 1 0.00000000 0.38660150 0.80607089 1.0 Bi Bi30 1 -0.00000000 0.11339850 0.30607089 1.0 Bi Bi31 1 0.00000000 0.88660150 0.69392911 1.0 Bi Bi32 1 0.50000000 0.80701058 0.33024398 1.0 Bi Bi33 1 0.50000000 0.19298942 0.66975602 1.0 Bi Bi34 1 0.50000000 0.30701058 0.16975602 1.0 Bi Bi35 1 0.50000000 0.69298942 0.83024398 1.0 Bi Bi36 1 0.50000000 0.95431129 0.14518592 1.0 Bi Bi37 1 0.50000000 0.04568871 0.85481408 1.0 Bi Bi38 1 0.50000000 0.45431129 0.35481408 1.0 Bi Bi39 1 0.50000000 0.54568871 0.64518592 1.0 Bi Bi40 1 0.00000000 0.80875800 0.00794379 1.0 Bi Bi41 1 0.00000000 0.19124200 0.99205621 1.0 Bi Bi42 1 -0.00000000 0.30875800 0.49205621 1.0 Bi Bi43 1 0.00000000 0.69124200 0.50794379 1.0