# generated using pymatgen data_Ni(PO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.44646600 _cell_length_b 9.45546614 _cell_length_c 9.78771946 _cell_angle_alpha 109.71671282 _cell_angle_beta 104.96511220 _cell_angle_gamma 108.62491116 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni(PO3)3 _chemical_formula_sum 'Ni4 P12 O36' _cell_volume 711.23769689 _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 0.74465500 0.22515300 0.27695800 1.0 Ni Ni1 1 0.90757300 0.70882800 0.78826100 1.0 Ni Ni2 1 0.25534500 0.77484700 0.72304200 1.0 Ni Ni3 1 0.09242700 0.29117200 0.21173900 1.0 P P4 1 0.30089900 0.43406100 0.59234900 1.0 P P5 1 0.04968800 0.78293000 0.16285600 1.0 P P6 1 0.57096400 0.33967600 0.70971800 1.0 P P7 1 0.99757600 0.39475200 0.64473100 1.0 P P8 1 0.51168100 0.15391200 0.90232300 1.0 P P9 1 0.81278700 0.90685000 0.07617900 1.0 P P10 1 0.18721300 0.09315000 0.92382100 1.0 P P11 1 0.00242400 0.60524800 0.35526900 1.0 P P12 1 0.69910100 0.56593900 0.40765100 1.0 P P13 1 0.48831900 0.84608800 0.09767700 1.0 P P14 1 0.42903600 0.66032400 0.29028200 1.0 P P15 1 0.95031200 0.21707000 0.83714400 1.0 O O16 1 0.36016100 0.81101100 0.94809300 1.0 O O17 1 0.78464600 0.07479900 0.71863100 1.0 O O18 1 0.27026700 0.51595200 0.24504100 1.0 O O19 1 0.58993300 0.30398200 0.86068500 1.0 O O20 1 0.00468600 0.62595100 0.19910100 1.0 O O21 1 0.84843600 0.25895900 0.50093300 1.0 O O22 1 0.99531400 0.37404900 0.80089900 1.0 O O23 1 0.57297400 0.60434100 0.29708400 1.0 O O24 1 0.36453600 0.62059900 0.65527200 1.0 O O25 1 0.81928200 0.85497800 0.91682100 1.0 O O26 1 0.74691000 0.67191500 0.58071400 1.0 O O27 1 0.42702600 0.39565900 0.70291600 1.0 O O28 1 0.21535400 0.92520100 0.28136900 1.0 O O29 1 0.15156400 0.74104100 0.49906700 1.0 O O30 1 0.63546400 0.37940100 0.34472800 1.0 O O31 1 0.96056600 0.28025200 0.00488200 1.0 O O32 1 0.56176400 0.01408600 0.23993000 1.0 O O33 1 0.88025000 0.09285000 0.18634200 1.0 O O34 1 0.63983900 0.18898900 0.05190700 1.0 O O35 1 0.96449000 0.42361900 0.31460700 1.0 O O36 1 0.43823600 0.98591400 0.76007000 1.0 O O37 1 0.03551000 0.57638100 0.68539300 1.0 O O38 1 0.15301100 0.36257000 0.64008100 1.0 O O39 1 0.18071800 0.14502200 0.08317900 1.0 O O40 1 0.90275000 0.82929500 0.17469600 1.0 O O41 1 0.72973300 0.48404800 0.75495900 1.0 O O42 1 0.48032300 0.81321600 0.44320500 1.0 O O43 1 0.36813200 0.19373900 0.94119500 1.0 O O44 1 0.41006700 0.69601800 0.13931500 1.0 O O45 1 0.84698900 0.63743000 0.35991900 1.0 O O46 1 0.63186800 0.80626100 0.05880500 1.0 O O47 1 0.25309000 0.32808500 0.41928600 1.0 O O48 1 0.09725000 0.17070500 0.82530400 1.0 O O49 1 0.11975000 0.90715000 0.81365800 1.0 O O50 1 0.51967700 0.18678400 0.55679500 1.0 O O51 1 0.03943400 0.71974800 0.99511800 1.0