# generated using pymatgen data_ZnNiBiP2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69563600 _cell_length_b 8.02697100 _cell_length_c 13.84410200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnNiBiP2O9 _chemical_formula_sum 'Zn4 Ni4 Bi4 P8 O36' _cell_volume 744.06062058 _cell_formula_units_Z 4 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 0.75000000 0.96555800 0.79123700 1.0 Zn Zn1 1 0.75000000 0.53444200 0.29123700 1.0 Zn Zn2 1 0.25000000 0.03444200 0.20876300 1.0 Zn Zn3 1 0.25000000 0.46555800 0.70876300 1.0 Ni Ni4 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni5 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni6 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni7 1 0.00000000 0.00000000 0.00000000 1.0 Bi Bi8 1 0.75000000 0.35938100 0.88403100 1.0 Bi Bi9 1 0.25000000 0.64061900 0.11596900 1.0 Bi Bi10 1 0.25000000 0.85938100 0.61596900 1.0 Bi Bi11 1 0.75000000 0.14061900 0.38403100 1.0 P P12 1 0.25000000 0.33544700 0.90274000 1.0 P P13 1 0.75000000 0.66455300 0.09726000 1.0 P P14 1 0.75000000 0.83544700 0.59726000 1.0 P P15 1 0.25000000 0.16455300 0.40274000 1.0 P P16 1 0.75000000 0.36151200 0.67305500 1.0 P P17 1 0.25000000 0.63848800 0.32694500 1.0 P P18 1 0.25000000 0.86151200 0.82694500 1.0 P P19 1 0.75000000 0.13848800 0.17305500 1.0 O O20 1 0.05453200 0.63924400 0.38715100 1.0 O O21 1 0.55453200 0.36075600 0.61284900 1.0 O O22 1 0.94546800 0.13924400 0.11284900 1.0 O O23 1 0.44546800 0.86075600 0.88715100 1.0 O O24 1 0.94546800 0.36075600 0.61284900 1.0 O O25 1 0.44546800 0.63924400 0.38715100 1.0 O O26 1 0.05453200 0.86075600 0.88715100 1.0 O O27 1 0.55453200 0.13924400 0.11284900 1.0 O O28 1 0.25000000 0.33814200 0.44892300 1.0 O O29 1 0.75000000 0.66185800 0.55107700 1.0 O O30 1 0.75000000 0.83814200 0.05107700 1.0 O O31 1 0.25000000 0.16185800 0.94892300 1.0 O O32 1 0.75000000 0.07908200 0.92206900 1.0 O O33 1 0.25000000 0.92091800 0.07793100 1.0 O O34 1 0.25000000 0.57908200 0.57793100 1.0 O O35 1 0.75000000 0.42091800 0.42206900 1.0 O O36 1 0.75000000 0.20259300 0.73808400 1.0 O O37 1 0.25000000 0.79740700 0.26191600 1.0 O O38 1 0.25000000 0.70259300 0.76191600 1.0 O O39 1 0.75000000 0.29740700 0.23808400 1.0 O O40 1 0.42586300 0.14020100 0.32916800 1.0 O O41 1 0.92586300 0.85979900 0.67083200 1.0 O O42 1 0.57413700 0.64020100 0.17083200 1.0 O O43 1 0.07413700 0.35979900 0.82916800 1.0 O O44 1 0.57413700 0.85979900 0.67083200 1.0 O O45 1 0.07413700 0.14020100 0.32916800 1.0 O O46 1 0.42586300 0.35979900 0.82916800 1.0 O O47 1 0.92586300 0.64020100 0.17083200 1.0 O O48 1 0.75000000 0.99071900 0.24615100 1.0 O O49 1 0.25000000 0.00928100 0.75384900 1.0 O O50 1 0.25000000 0.49071900 0.25384900 1.0 O O51 1 0.75000000 0.50928100 0.74615100 1.0 O O52 1 0.75000000 0.97519700 0.52241400 1.0 O O53 1 0.25000000 0.02480300 0.47758600 1.0 O O54 1 0.25000000 0.47519700 0.97758600 1.0 O O55 1 0.75000000 0.52480300 0.02241400 1.0