# generated using pymatgen data_Ni3(AsO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03304300 _cell_length_b 9.38664200 _cell_length_c 15.43611704 _cell_angle_alpha 66.57227784 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni3(AsO4)4 _chemical_formula_sum 'Ni6 As8 O32' _cell_volume 669.13623515 _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 Ni Ni0 1 0.50135800 0.18781100 0.62464500 1.0 Ni Ni1 1 0.49864200 0.81218900 0.37535500 1.0 Ni Ni2 1 0.00135800 0.81218900 0.87535500 1.0 Ni Ni3 1 0.99864200 0.18781100 0.12464500 1.0 Ni Ni4 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni5 1 0.50000000 0.50000000 0.00000000 1.0 As As6 1 0.01994200 0.04846800 0.34847400 1.0 As As7 1 0.49185800 0.43536800 0.40237000 1.0 As As8 1 0.99185800 0.56463200 0.09763000 1.0 As As9 1 0.00814200 0.43536800 0.90237000 1.0 As As10 1 0.98005800 0.95153200 0.65152600 1.0 As As11 1 0.50814200 0.56463200 0.59763000 1.0 As As12 1 0.48005800 0.04846800 0.84847400 1.0 As As13 1 0.51994200 0.95153200 0.15152600 1.0 O O14 1 0.44270500 0.79844000 0.25435700 1.0 O O15 1 0.90779400 0.73820800 0.01037600 1.0 O O16 1 0.42601100 0.43388300 0.29342600 1.0 O O17 1 0.37312200 0.11842200 0.14906100 1.0 O O18 1 0.57398900 0.56611700 0.70657400 1.0 O O19 1 0.05729500 0.79844000 0.75435700 1.0 O O20 1 0.92601100 0.56611700 0.20657400 1.0 O O21 1 0.67835000 0.49573600 0.89875900 1.0 O O22 1 0.57120100 0.09974000 0.94163700 1.0 O O23 1 0.55729500 0.20156000 0.74564300 1.0 O O24 1 0.12687800 0.11842200 0.64906100 1.0 O O25 1 0.32165000 0.50426400 0.10124100 1.0 O O26 1 0.30109400 0.57775200 0.42210000 1.0 O O27 1 0.42879900 0.90026000 0.05836300 1.0 O O28 1 0.64129500 0.98668300 0.64568300 1.0 O O29 1 0.14129500 0.01331700 0.85431700 1.0 O O30 1 0.80109300 0.42224800 0.07790000 1.0 O O31 1 0.07398900 0.43388300 0.79342600 1.0 O O32 1 0.07120100 0.90026000 0.55836300 1.0 O O33 1 0.17835000 0.50426400 0.60124100 1.0 O O34 1 0.85870500 0.98668300 0.14568300 1.0 O O35 1 0.35870500 0.01331700 0.35431700 1.0 O O36 1 0.09220600 0.26179200 0.98962400 1.0 O O37 1 0.40779400 0.26179200 0.48962400 1.0 O O38 1 0.69890600 0.42224800 0.57790000 1.0 O O39 1 0.94270500 0.20156000 0.24564300 1.0 O O40 1 0.62687800 0.88157800 0.85093900 1.0 O O41 1 0.92879900 0.09974000 0.44163700 1.0 O O42 1 0.59220600 0.73820800 0.51037600 1.0 O O43 1 0.82165000 0.49573600 0.39875900 1.0 O O44 1 0.19890600 0.57775200 0.92210000 1.0 O O45 1 0.87312200 0.88157800 0.35093900 1.0