# generated using pymatgen data_Fe5Ni4P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39170300 _cell_length_b 6.69287119 _cell_length_c 19.08938458 _cell_angle_alpha 87.86761163 _cell_angle_beta 83.64408291 _cell_angle_gamma 71.04077167 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe5Ni4P3 _chemical_formula_sum 'Fe20 Ni16 P12' _cell_volume 527.39457141 _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 Fe Fe0 1 0.31506100 0.81598900 0.01064500 1.0 Fe Fe1 1 0.64825800 0.81543700 0.34417500 1.0 Fe Fe2 1 0.98096200 0.81546600 0.67739000 1.0 Fe Fe3 1 0.47725300 0.18551400 0.32329200 1.0 Fe Fe4 1 0.81071900 0.18523800 0.65649400 1.0 Fe Fe5 1 0.14200300 0.18440500 0.98883700 1.0 Fe Fe6 1 0.72394100 0.02871800 0.06132900 1.0 Fe Fe7 1 0.05542700 0.03176800 0.39523800 1.0 Fe Fe8 1 0.38866300 0.03210800 0.72858000 1.0 Fe Fe9 1 0.14922900 0.97141600 0.27187500 1.0 Fe Fe10 1 0.48174200 0.97213600 0.60525100 1.0 Fe Fe11 1 0.81404600 0.97238700 0.93844500 1.0 Fe Fe12 1 0.06342000 0.39457500 0.44346200 1.0 Fe Fe13 1 0.39731900 0.39430600 0.77680400 1.0 Fe Fe14 1 0.12156000 0.67102300 0.13240200 1.0 Fe Fe15 1 0.45421100 0.67005700 0.46518900 1.0 Fe Fe16 1 0.78700900 0.67007100 0.79856900 1.0 Fe Fe17 1 0.25759600 0.32889000 0.20101600 1.0 Fe Fe18 1 0.58902900 0.32855500 0.53465400 1.0 Fe Fe19 1 0.92339900 0.32849800 0.86794100 1.0 Ni Ni20 1 0.93336900 0.61207300 0.01693500 1.0 Ni Ni21 1 0.26674800 0.61153700 0.34937400 1.0 Ni Ni22 1 0.59982000 0.61174900 0.68264900 1.0 Ni Ni23 1 0.89803000 0.38921800 0.31631200 1.0 Ni Ni24 1 0.23050600 0.38907300 0.64978500 1.0 Ni Ni25 1 0.56252300 0.38718700 0.98306300 1.0 Ni Ni26 1 0.16222800 0.05158800 0.12936600 1.0 Ni Ni27 1 0.49719600 0.04773000 0.46310100 1.0 Ni Ni28 1 0.83082400 0.04785800 0.79637300 1.0 Ni Ni29 1 0.67532600 0.94832600 0.20396900 1.0 Ni Ni30 1 0.00798900 0.94821400 0.53736100 1.0 Ni Ni31 1 0.34167100 0.94828000 0.87084800 1.0 Ni Ni32 1 0.56461300 0.60398400 0.22298100 1.0 Ni Ni33 1 0.89503000 0.60458900 0.55681000 1.0 Ni Ni34 1 0.22786500 0.60514000 0.89020400 1.0 Ni Ni35 1 0.72569500 0.39556100 0.11051100 1.0 P P36 1 0.02682100 0.65922700 0.25247000 1.0 P P37 1 0.35890700 0.65985700 0.58563500 1.0 P P38 1 0.69341100 0.65837000 0.91938500 1.0 P P39 1 0.27166800 0.34227700 0.08059000 1.0 P P40 1 0.60693000 0.34316000 0.41472900 1.0 P P41 1 0.94006200 0.34307400 0.74797200 1.0 P P42 1 0.58107200 0.75831200 0.11314000 1.0 P P43 1 0.91662200 0.75553200 0.44623900 1.0 P P44 1 0.24977900 0.75545700 0.77961400 1.0 P P45 1 0.78522900 0.24141000 0.22026200 1.0 P P46 1 0.11755100 0.24211100 0.55277300 1.0 P P47 1 0.45166500 0.24255300 0.88596000 1.0