# generated using pymatgen data_Ni3(TeO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96901700 _cell_length_b 12.98079876 _cell_length_c 13.01511662 _cell_angle_alpha 120.27246518 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni3(TeO4)2 _chemical_formula_sum 'Ni12 Te8 O32' _cell_volume 725.02279850 _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 Ni Ni0 1 0.52881200 0.43127900 0.35781900 1.0 Ni Ni1 1 0.52925100 0.93130700 0.56788500 1.0 Ni Ni2 1 0.53638500 0.64003500 0.07140300 1.0 Ni Ni3 1 0.53048400 0.92556400 0.35800000 1.0 Ni Ni4 1 0.52747100 0.63681500 0.56829800 1.0 Ni Ni5 1 0.53653200 0.43083100 0.07083300 1.0 Ni Ni6 1 0.02881200 0.56872100 0.64218100 1.0 Ni Ni7 1 0.02925100 0.06869300 0.43211500 1.0 Ni Ni8 1 0.03638500 0.35996500 0.92859700 1.0 Ni Ni9 1 0.03048400 0.07443600 0.64200000 1.0 Ni Ni10 1 0.02747100 0.36318500 0.43170200 1.0 Ni Ni11 1 0.03653200 0.56916800 0.92916700 1.0 Te Te12 1 0.47280200 0.13898200 0.86135000 1.0 Te Te13 1 0.47236600 0.72307200 0.86256400 1.0 Te Te14 1 0.46852900 0.14061700 0.28398500 1.0 Te Te15 1 0.97280200 0.86101800 0.13865000 1.0 Te Te16 1 0.97236600 0.27692800 0.13743600 1.0 Te Te17 1 0.96852900 0.85938300 0.71601500 1.0 Te Te18 1 0.63855600 0.66558700 0.33270100 1.0 Te Te19 1 0.13855600 0.33441300 0.66729900 1.0 O O20 1 0.23426000 0.20541600 0.79516800 1.0 O O21 1 0.23302600 0.58998100 0.79501500 1.0 O O22 1 0.20846700 0.20254700 0.40516500 1.0 O O23 1 0.73426000 0.79458400 0.20483200 1.0 O O24 1 0.73302600 0.41001900 0.20498500 1.0 O O25 1 0.70846700 0.79745300 0.59483500 1.0 O O26 1 0.21176700 0.32349400 0.05280000 1.0 O O27 1 0.20211000 0.73164700 0.68157000 1.0 O O28 1 0.20476700 0.94796000 0.27411200 1.0 O O29 1 0.21215900 0.72921700 0.05313000 1.0 O O30 1 0.20382900 0.95015400 0.67941100 1.0 O O31 1 0.20312500 0.32399900 0.27267500 1.0 O O32 1 0.71176700 0.67650600 0.94720000 1.0 O O33 1 0.70211000 0.26835300 0.31843000 1.0 O O34 1 0.70476700 0.05204000 0.72588800 1.0 O O35 1 0.71215900 0.27078300 0.94687000 1.0 O O36 1 0.70382900 0.04984600 0.32058900 1.0 O O37 1 0.70312500 0.67600100 0.72732500 1.0 O O38 1 0.91822300 0.40209100 0.59652600 1.0 O O39 1 0.91924300 0.19468800 0.59663100 1.0 O O40 1 0.92095300 0.40329200 0.80648100 1.0 O O41 1 0.41822300 0.59790900 0.40347400 1.0 O O42 1 0.41924300 0.80531200 0.40336900 1.0 O O43 1 0.42095300 0.59670800 0.19351900 1.0 O O44 1 0.33341200 0.47913800 0.52047400 1.0 O O45 1 0.33627100 0.04216800 0.52067700 1.0 O O46 1 0.34037300 0.47886400 0.95762100 1.0 O O47 1 0.83341200 0.52086200 0.47952600 1.0 O O48 1 0.83627100 0.95783200 0.47932300 1.0 O O49 1 0.84037300 0.52113600 0.04237900 1.0 O O50 1 0.38382600 0.05887200 0.12608000 1.0 O O51 1 0.88382600 0.94112800 0.87392000 1.0