# generated using pymatgen
data_FeNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51397137
_cell_length_b   12.73749203
_cell_length_c   47.16831257
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi3
_chemical_formula_sum   'Fe21 Ni63'
_cell_volume   2111.21510225
_cell_formula_units_Z   21
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  Fe1  1  1.002810  0.538344  0.321435  1
  Fe  Fe2  1  1.002810  0.308517  0.281246  1
  Fe  Fe3  1  1.002810  0.924890  0.301649  1
  Fe  Fe4  1  1.002810  0.385432  0.384257  1
  Fe  Fe5  1  1.002810  0.154286  0.342266  1
  Fe  Fe6  1  1.002810  0.769811  0.362879  1
  Fe  Fe7  1  1.002810  0.231294  0.446619  1
  Fe  Fe8  1  1.002810  0.000727  0.405096  1
  Fe  Fe9  1  1.002810  0.616044  0.425594  1
  Fe  Fe10  1  1.002810  0.077309  0.509190  1
  Fe  Fe11  1  1.002810  0.846569  0.467355  1
  Fe  Fe12  1  1.002810  0.461928  0.488207  1
  Fe  Fe13  1  1.002810  0.923341  0.571633  1
  Fe  Fe14  1  1.002810  0.692606  0.529817  1
  Fe  Fe15  1  1.002810  0.307806  0.550822  1
  Fe  Fe16  1  1.002810  0.769261  0.633997  1
  Fe  Fe17  1  1.002810  0.538308  0.592168  1
  Fe  Fe18  1  1.002810  0.154037  0.613523  1
  Fe  Fe19  1  1.002810  0.613276  0.695467  1
  Fe  Fe20  1  1.002810  0.385043  0.654920  1
  Fe  Fe21  1  1.002810  0.999197  0.675680  1
  Ni  Ni22  1  0.502810  0.425641  0.299781  1
  Ni  Ni23  1  0.502810  0.039646  0.321571  1
  Ni  Ni24  1  0.502810  0.654611  0.342073  1
  Ni  Ni25  1  1.002810  0.347429  0.332636  1
  Ni  Ni26  1  1.002810  0.115918  0.290207  1
  Ni  Ni27  1  1.002810  0.731516  0.310679  1
  Ni  Ni28  1  0.502810  0.613311  0.290195  1
  Ni  Ni29  1  0.502810  0.230325  0.311423  1
  Ni  Ni30  1  0.502810  0.845996  0.331808  1
  Ni  Ni31  1  0.502810  0.269728  0.363292  1
  Ni  Ni32  1  0.502810  0.885031  0.384032  1
  Ni  Ni33  1  0.502810  0.500836  0.404876  1
  Ni  Ni34  1  1.002810  0.192917  0.394464  1
  Ni  Ni35  1  1.002810  0.962694  0.353447  1
  Ni  Ni36  1  1.002810  0.577699  0.373423  1
  Ni  Ni37  1  0.502810  0.462341  0.352877  1
  Ni  Ni38  1  0.502810  0.077822  0.373696  1
  Ni  Ni39  1  0.502810  0.692928  0.394223  1
  Ni  Ni40  1  0.502810  0.116047  0.425818  1
  Ni  Ni41  1  0.502810  0.731308  0.446437  1
  Ni  Ni42  1  0.502810  0.346599  0.467434  1
  Ni  Ni43  1  1.002810  0.039008  0.457111  1
  Ni  Ni44  1  1.002810  0.808195  0.415146  1
  Ni  Ni45  1  1.002810  0.423729  0.436202  1
  Ni  Ni46  1  0.502810  0.308250  0.415385  1
  Ni  Ni47  1  0.502810  0.923535  0.436181  1
  Ni  Ni48  1  0.502810  0.539049  0.456923  1
  Ni  Ni49  1  0.502810  0.961928  0.488292  1
  Ni  Ni50  1  0.502810  0.577274  0.508983  1
  Ni  Ni51  1  0.502810  0.192561  0.530033  1
  Ni  Ni52  1  1.002810  0.884957  0.519498  1
  Ni  Ni53  1  1.002810  0.654263  0.477718  1
  Ni  Ni54  1  1.002810  0.269594  0.498718  1
  Ni  Ni55  1  0.502810  0.154320  0.477915  1
  Ni  Ni56  1  0.502810  0.769604  0.498588  1
  Ni  Ni57  1  0.502810  0.384811  0.519493  1
  Ni  Ni58  1  0.502810  0.807981  0.550715  1
  Ni  Ni59  1  0.502810  0.423013  0.571531  1
  Ni  Ni60  1  0.502810  0.038711  0.592585  1
  Ni  Ni61  1  1.002810  0.730912  0.581900  1
  Ni  Ni62  1  1.002810  0.500122  0.540210  1
  Ni  Ni63  1  1.002810  0.115663  0.561343  1
  Ni  Ni64  1  0.502810  0.000332  0.540422  1
  Ni  Ni65  1  0.502810  0.615523  0.561006  1
  Ni  Ni66  1  0.502810  0.230943  0.582214  1
  Ni  Ni67  1  0.502810  0.653958  0.612990  1
  Ni  Ni68  1  0.502810  0.269129  0.634554  1
  Ni  Ni69  1  0.502810  0.883880  0.655013  1
  Ni  Ni70  1  1.002810  0.576647  0.643859  1
  Ni  Ni71  1  1.002810  0.346063  0.602944  1
  Ni  Ni72  1  1.002810  0.961611  0.623765  1
  Ni  Ni73  1  0.502810  0.846357  0.602835  1
  Ni  Ni74  1  0.502810  0.461277  0.623575  1
  Ni  Ni75  1  0.502810  0.077158  0.644753  1
  Ni  Ni76  1  0.502810  0.498778  0.675719  1
  Ni  Ni77  1  0.502810  0.112690  0.697586  1
  Ni  Ni78  1  0.502810  0.720139  0.717711  1
  Ni  Ni79  1  1.002810  0.424278  0.706857  1
  Ni  Ni80  1  1.002810  0.191929  0.665660  1
  Ni  Ni81  1  1.002810  0.806847  0.686192  1
  Ni  Ni82  1  0.502810  0.692213  0.664956  1
  Ni  Ni83  1  0.502810  0.307987  0.686495  1
  Ni  Ni84  1  0.502810  0.923415  0.707298  1
