# generated using pymatgen data_Ni4P4O15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67158014 _cell_length_b 8.67158014 _cell_length_c 18.07094783 _cell_angle_alpha 82.22757412 _cell_angle_beta 82.22757412 _cell_angle_gamma 107.21171257 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni4P4O15 _chemical_formula_sum 'Ni16 P16 O60' _cell_volume 1263.84871345 _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 0.91422800 0.26789500 0.43406200 1.0 Ni Ni1 1 0.94772800 0.05227200 0.75000000 1.0 Ni Ni2 1 0.00000000 0.50000000 0.00000000 1.0 Ni Ni3 1 0.83374900 0.16625100 0.25000000 1.0 Ni Ni4 1 0.96057700 0.84998200 0.06825000 1.0 Ni Ni5 1 0.73210500 0.08577200 0.06593800 1.0 Ni Ni6 1 0.84998200 0.96057700 0.56825000 1.0 Ni Ni7 1 0.52173800 0.47826200 0.25000000 1.0 Ni Ni8 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni9 1 0.47826200 0.52173800 0.75000000 1.0 Ni Ni10 1 0.15001800 0.03942300 0.43175000 1.0 Ni Ni11 1 0.26789500 0.91422800 0.93406200 1.0 Ni Ni12 1 0.03942300 0.15001800 0.93175000 1.0 Ni Ni13 1 0.16625100 0.83374900 0.75000000 1.0 Ni Ni14 1 0.05227200 0.94772800 0.25000000 1.0 Ni Ni15 1 0.08577200 0.73210500 0.56593800 1.0 P P16 1 0.98675900 0.68584500 0.40132100 1.0 P P17 1 0.77895200 0.43987000 0.12488300 1.0 P P18 1 0.88657200 0.77431600 0.90318700 1.0 P P19 1 0.77431600 0.88657200 0.40318700 1.0 P P20 1 0.56013000 0.22104800 0.37511700 1.0 P P21 1 0.84371200 0.71973400 0.67975000 1.0 P P22 1 0.71973400 0.84371200 0.17975000 1.0 P P23 1 0.68584500 0.98675900 0.90132100 1.0 P P24 1 0.31415500 0.01324100 0.09867900 1.0 P P25 1 0.28026600 0.15628800 0.82025000 1.0 P P26 1 0.15628800 0.28026600 0.32025000 1.0 P P27 1 0.43987000 0.77895200 0.62488300 1.0 P P28 1 0.22568400 0.11342800 0.59681300 1.0 P P29 1 0.11342800 0.22568400 0.09681300 1.0 P P30 1 0.22104800 0.56013000 0.87511700 1.0 P P31 1 0.01324100 0.31415500 0.59867900 1.0 O O32 1 0.88881600 0.00227100 0.44935100 1.0 O O33 1 0.99772900 0.11118400 0.05064900 1.0 O O34 1 0.97914300 0.28755000 0.31760000 1.0 O O35 1 0.95759700 0.50697200 0.42808300 1.0 O O36 1 0.94970600 0.25395000 0.68330800 1.0 O O37 1 0.83799900 0.38402400 0.19651600 1.0 O O38 1 0.91183000 0.60410200 0.07952100 1.0 O O39 1 0.79151300 0.09764400 0.94958100 1.0 O O40 1 0.71245000 0.02085700 0.18240000 1.0 O O41 1 0.90235600 0.20848700 0.55041900 1.0 O O42 1 0.66912500 0.21359300 0.43738800 1.0 O O43 1 0.80712900 0.71435200 0.42080100 1.0 O O44 1 0.78640700 0.33087500 0.06261200 1.0 O O45 1 0.89699100 0.82971700 0.18325700 1.0 O O46 1 0.74605000 0.05029400 0.81669200 1.0 O O47 1 0.86676500 0.59711600 0.92941200 1.0 O O48 1 0.95165800 0.83778700 0.81674800 1.0 O O49 1 0.83778700 0.95165800 0.31674800 1.0 O O50 1 0.61597600 0.16200100 0.30348400 1.0 O O51 1 0.83607000 0.71728300 0.59264200 1.0 O O52 1 0.54419900 0.39152000 0.35163400 1.0 O O53 1 0.60848000 0.45580100 0.14836600 1.0 O O54 1 0.49302800 0.04240300 0.07191700 1.0 O O55 1 0.71728300 0.83607000 0.09264200 1.0 O O56 1 0.82971700 0.89699100 0.68325700 1.0 O O57 1 0.71397100 0.58524000 0.73680800 1.0 O O58 1 0.39589800 0.08817000 0.42047900 1.0 O O59 1 0.71435200 0.80712900 0.92080100 1.0 O O60 1 0.59711600 0.86676500 0.42941200 1.0 O O61 1 0.58524000 0.71397100 0.23680800 1.0 O O62 1 0.41476000 0.28602900 0.76319200 1.0 O O63 1 0.40288400 0.13323500 0.57058800 1.0 O O64 1 0.28564800 0.19287100 0.07919900 1.0 O O65 1 0.60410200 0.91183000 0.57952100 1.0 O O66 1 0.28602900 0.41476000 0.26319200 1.0 O O67 1 0.17028300 0.10300900 0.31674300 1.0 O O68 1 0.28271700 0.16393000 0.90735800 1.0 O O69 1 0.50697200 0.95759700 0.92808300 1.0 O O70 1 0.39152000 0.54419900 0.85163400 1.0 O O71 1 0.45580100 0.60848000 0.64836600 1.0 O O72 1 0.16393000 0.28271700 0.40735800 1.0 O O73 1 0.38402400 0.83799900 0.69651600 1.0 O O74 1 0.16221300 0.04834200 0.68325200 1.0 O O75 1 0.04834200 0.16221300 0.18325200 1.0 O O76 1 0.13323500 0.40288400 0.07058800 1.0 O O77 1 0.25395000 0.94970600 0.18330800 1.0 O O78 1 0.10300900 0.17028300 0.81674300 1.0 O O79 1 0.21359300 0.66912500 0.93738800 1.0 O O80 1 0.19287100 0.28564800 0.57919900 1.0 O O81 1 0.33087500 0.78640700 0.56261200 1.0 O O82 1 0.09764400 0.79151300 0.44958100 1.0 O O83 1 0.28755000 0.97914300 0.81760000 1.0 O O84 1 0.20848700 0.90235600 0.05041900 1.0 O O85 1 0.08817000 0.39589800 0.92047900 1.0 O O86 1 0.16200100 0.61597600 0.80348400 1.0 O O87 1 0.05029400 0.74605000 0.31669200 1.0 O O88 1 0.04240300 0.49302800 0.57191700 1.0 O O89 1 0.02085700 0.71245000 0.68240000 1.0 O O90 1 0.00227000 0.88881600 0.94935100 1.0 O O91 1 0.11118400 0.99773000 0.55064900 1.0