# generated using pymatgen
data_Fe4Ni5P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40595958
_cell_length_b   6.68822486
_cell_length_c   19.13452976
_cell_angle_alpha   87.90306891
_cell_angle_beta   83.45175737
_cell_angle_gamma   70.97334805
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4Ni5P3
_chemical_formula_sum   'Fe16 Ni20 P12'
_cell_volume   529.57441770
_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  0.14359700  0.81570000  0.00905700  1
  Fe  Fe1  1  0.81254200  0.81624800  0.34251000  1
  Fe  Fe2  1  0.47909100  0.81646500  0.67551800  1
  Fe  Fe3  1  0.98370900  0.18456200  0.32330200  1
  Fe  Fe4  1  0.65192000  0.18438800  0.65670600  1
  Fe  Fe5  1  0.32046900  0.18476300  0.99069000  1
  Fe  Fe6  1  0.81699600  0.03244900  0.06125900  1
  Fe  Fe7  1  0.47956900  0.02828100  0.39412500  1
  Fe  Fe8  1  0.14577500  0.02873700  0.72738500  1
  Fe  Fe9  1  0.39003000  0.96789200  0.27189100  1
  Fe  Fe10  1  0.05768000  0.96814100  0.60517100  1
  Fe  Fe11  1  0.72384700  0.96793900  0.93862800  1
  Fe  Fe12  1  0.38979400  0.60387100  0.22364800  1
  Fe  Fe13  1  0.06110300  0.60637300  0.55752800  1
  Fe  Fe14  1  0.72787700  0.60636600  0.89075700  1
  Fe  Fe15  1  0.22995700  0.39610200  0.10979500  1
  Ni  Ni16  1  0.56111000  0.61077200  0.01728200  1
  Ni  Ni17  1  0.23082300  0.61106400  0.35093200  1
  Ni  Ni18  1  0.89680500  0.61111800  0.68429300  1
  Ni  Ni19  1  0.59916900  0.38796600  0.31629000  1
  Ni  Ni20  1  0.26618300  0.38772600  0.64996600  1
  Ni  Ni21  1  0.93364700  0.38891300  0.98324400  1
  Ni  Ni22  1  0.34190700  0.05061800  0.12957700  1
  Ni  Ni23  1  0.00809900  0.05211900  0.46284800  1
  Ni  Ni24  1  0.67456100  0.05189600  0.79625400  1
  Ni  Ni25  1  0.82921800  0.94939400  0.20372300  1
  Ni  Ni26  1  0.49738600  0.95056300  0.53707200  1
  Ni  Ni27  1  0.16388400  0.95039200  0.87038600  1
  Ni  Ni28  1  0.89422200  0.39538100  0.44308300  1
  Ni  Ni29  1  0.56137700  0.39538700  0.77637400  1
  Ni  Ni30  1  0.92271300  0.66888600  0.13149300  1
  Ni  Ni31  1  0.58960000  0.66893200  0.46492500  1
  Ni  Ni32  1  0.25596800  0.66891400  0.79817900  1
  Ni  Ni33  1  0.78784400  0.33153700  0.20172700  1
  Ni  Ni34  1  0.45444500  0.33234800  0.53486500  1
  Ni  Ni35  1  0.12173900  0.33192500  0.86810600  1
  P  P36  1  0.94050600  0.66145600  0.25324200  1
  P  P37  1  0.60715500  0.66041200  0.58645000  1
  P  P38  1  0.27289300  0.66066900  0.91946000  1
  P  P39  1  0.69157800  0.33803000  0.08062800  1
  P  P40  1  0.35517500  0.33610500  0.41324900  1
  P  P41  1  0.02176900  0.33603400  0.74671800  1
  P  P42  1  0.45399900  0.75868500  0.11365000  1
  P  P43  1  0.11976900  0.75824500  0.44725900  1
  P  P44  1  0.78626700  0.75833500  0.78042400  1
  P  P45  1  0.24812400  0.24173500  0.21983800  1
  P  P46  1  0.91557200  0.24320100  0.55364300  1
  P  P47  1  0.58253900  0.24296300  0.88685300  1
