# generated using pymatgen data_Si2Ni7P5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91350600 _cell_length_b 5.92284900 _cell_length_c 23.93746100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2Ni7P5 _chemical_formula_sum 'Si8 Ni28 P20' _cell_volume 696.62689126 _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 Si Si0 1 0.21947700 0.15927100 0.78298400 1.0 Si Si1 1 0.78052300 0.34072900 0.28298400 1.0 Si Si2 1 0.28052300 0.15927100 0.21701600 1.0 Si Si3 1 0.78052300 0.84072900 0.21701600 1.0 Si Si4 1 0.28052300 0.65927100 0.28298400 1.0 Si Si5 1 0.71947700 0.84072900 0.78298400 1.0 Si Si6 1 0.21947700 0.65927100 0.71701600 1.0 Si Si7 1 0.71947700 0.34072900 0.71701600 1.0 Ni Ni8 1 0.99357100 0.44943400 0.63983900 1.0 Ni Ni9 1 0.50093300 0.46611700 0.79429300 1.0 Ni Ni10 1 0.00642900 0.55056600 0.36016100 1.0 Ni Ni11 1 0.50135300 0.45763500 0.92623000 1.0 Ni Ni12 1 0.50135300 0.95763500 0.57377000 1.0 Ni Ni13 1 0.49906700 0.53388300 0.20570700 1.0 Ni Ni14 1 0.50093300 0.96611700 0.70570700 1.0 Ni Ni15 1 0.99864700 0.45763500 0.07377000 1.0 Ni Ni16 1 0.00642900 0.05056600 0.13983900 1.0 Ni Ni17 1 0.00135300 0.04236500 0.57377000 1.0 Ni Ni18 1 0.49357100 0.05056600 0.86016100 1.0 Ni Ni19 1 0.99906700 0.96611700 0.29429300 1.0 Ni Ni20 1 0.99906700 0.46611700 0.20570700 1.0 Ni Ni21 1 0.99864700 0.95763500 0.42623000 1.0 Ni Ni22 1 0.00093300 0.53388300 0.79429300 1.0 Ni Ni23 1 0.49864700 0.54236500 0.07377000 1.0 Ni Ni24 1 0.49357100 0.55056600 0.63983900 1.0 Ni Ni25 1 0.50642900 0.94943400 0.13983900 1.0 Ni Ni26 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni27 1 0.99357100 0.94943400 0.86016100 1.0 Ni Ni28 1 0.49864700 0.04236500 0.42623000 1.0 Ni Ni29 1 0.00093300 0.03388300 0.70570700 1.0 Ni Ni30 1 0.50642900 0.44943400 0.36016100 1.0 Ni Ni31 1 0.49906700 0.03388300 0.29429300 1.0 Ni Ni32 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni33 1 0.00135300 0.54236500 0.92623000 1.0 Ni Ni34 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni35 1 0.50000000 0.50000000 0.50000000 1.0 P P36 1 0.31240300 0.68532300 0.85784100 1.0 P P37 1 0.69236000 0.82293600 0.92776700 1.0 P P38 1 0.19236000 0.17706400 0.92776700 1.0 P P39 1 0.81240300 0.31467700 0.85784100 1.0 P P40 1 0.25000000 0.16862800 0.50000000 1.0 P P41 1 0.75000000 0.83137200 0.50000000 1.0 P P42 1 0.31240300 0.18532300 0.64215900 1.0 P P43 1 0.25000000 0.66862800 0.00000000 1.0 P P44 1 0.68759700 0.81467700 0.35784100 1.0 P P45 1 0.81240300 0.81467700 0.64215900 1.0 P P46 1 0.80764000 0.32293600 0.42776700 1.0 P P47 1 0.19236000 0.67706400 0.57223300 1.0 P P48 1 0.68759700 0.31467700 0.14215900 1.0 P P49 1 0.69236000 0.32293600 0.57223300 1.0 P P50 1 0.30764000 0.17706400 0.07223300 1.0 P P51 1 0.18759700 0.68532300 0.14215900 1.0 P P52 1 0.75000000 0.33137200 0.00000000 1.0 P P53 1 0.80764000 0.82293600 0.07223300 1.0 P P54 1 0.18759700 0.18532300 0.35784100 1.0 P P55 1 0.30764000 0.67706400 0.42776700 1.0