# generated using pymatgen data_ZnNiBiO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25255900 _cell_length_b 10.41087100 _cell_length_c 15.23885700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnNiBiO5 _chemical_formula_sum 'Zn8 Ni8 Bi8 O40' _cell_volume 833.31730045 _cell_formula_units_Z 8 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 Zn Zn0 1 0.47315000 0.36320200 0.53662500 1.0 Zn Zn1 1 0.97315100 0.13679800 0.53662500 1.0 Zn Zn2 1 0.97315100 0.63679800 0.96337500 1.0 Zn Zn3 1 0.02685000 0.36320200 0.03662500 1.0 Zn Zn4 1 0.52684900 0.13679800 0.03662500 1.0 Zn Zn5 1 0.02685000 0.86320200 0.46337500 1.0 Zn Zn6 1 0.52684900 0.63679800 0.46337500 1.0 Zn Zn7 1 0.47315000 0.86320200 0.96337500 1.0 Ni Ni8 1 0.96681500 0.37937000 0.40778500 1.0 Ni Ni9 1 0.53318500 0.87937000 0.59221500 1.0 Ni Ni10 1 0.03318500 0.62063000 0.59221500 1.0 Ni Ni11 1 0.46681500 0.12063000 0.40778500 1.0 Ni Ni12 1 0.03318500 0.12063000 0.90778500 1.0 Ni Ni13 1 0.96681500 0.87937000 0.09221500 1.0 Ni Ni14 1 0.53318500 0.37937000 0.90778500 1.0 Ni Ni15 1 0.46681500 0.62063000 0.09221500 1.0 Bi Bi16 1 0.04738700 0.85596600 0.76462400 1.0 Bi Bi17 1 0.95261300 0.14403400 0.23537600 1.0 Bi Bi18 1 0.45261300 0.35596600 0.23537600 1.0 Bi Bi19 1 0.95261300 0.64403400 0.26462400 1.0 Bi Bi20 1 0.54738700 0.14403400 0.73537600 1.0 Bi Bi21 1 0.54738700 0.64403400 0.76462400 1.0 Bi Bi22 1 0.45261300 0.85596600 0.26462400 1.0 Bi Bi23 1 0.04738700 0.35596600 0.73537600 1.0 O O24 1 0.78023600 0.29916000 0.31386500 1.0 O O25 1 0.27623300 0.02682600 0.96685800 1.0 O O26 1 0.22376700 0.52682600 0.03314200 1.0 O O27 1 0.36909000 0.79947800 0.84305700 1.0 O O28 1 0.13091000 0.29947800 0.15694300 1.0 O O29 1 0.78023600 0.79916000 0.18613500 1.0 O O30 1 0.13091000 0.79947800 0.34305700 1.0 O O31 1 0.71976400 0.79916000 0.68613500 1.0 O O32 1 0.27623300 0.52682600 0.53314200 1.0 O O33 1 0.21976400 0.70084000 0.68613500 1.0 O O34 1 0.71976400 0.29916000 0.81386500 1.0 O O35 1 0.66417300 0.21934200 0.48135600 1.0 O O36 1 0.77623300 0.97317400 0.53314200 1.0 O O37 1 0.63091000 0.70052200 0.34305700 1.0 O O38 1 0.17710300 0.98402300 0.17650200 1.0 O O39 1 0.77623300 0.47317400 0.96685800 1.0 O O40 1 0.21976400 0.20084000 0.81386500 1.0 O O41 1 0.86909000 0.20052200 0.65694300 1.0 O O42 1 0.16417300 0.78065800 0.01864400 1.0 O O43 1 0.22376700 0.02682600 0.46685800 1.0 O O44 1 0.33582700 0.78065800 0.51864400 1.0 O O45 1 0.82289700 0.01597700 0.82349800 1.0 O O46 1 0.63091000 0.20052200 0.15694300 1.0 O O47 1 0.67710300 0.01597700 0.32349800 1.0 O O48 1 0.33582700 0.28065800 0.98135600 1.0 O O49 1 0.16417300 0.28065800 0.48135600 1.0 O O50 1 0.72376700 0.47317400 0.46685800 1.0 O O51 1 0.72376700 0.97317400 0.03314200 1.0 O O52 1 0.67710300 0.51597700 0.17650200 1.0 O O53 1 0.83582700 0.71934200 0.51864400 1.0 O O54 1 0.83582700 0.21934200 0.98135600 1.0 O O55 1 0.66417300 0.71934200 0.01864400 1.0 O O56 1 0.82289700 0.51597700 0.67650200 1.0 O O57 1 0.86909000 0.70052200 0.84305700 1.0 O O58 1 0.36909000 0.29947800 0.65694300 1.0 O O59 1 0.17710300 0.48402300 0.32349800 1.0 O O60 1 0.32289700 0.48402300 0.82349800 1.0 O O61 1 0.28023600 0.20084000 0.31386500 1.0 O O62 1 0.32289700 0.98402300 0.67650200 1.0 O O63 1 0.28023600 0.70084000 0.18613500 1.0