# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54142092
_cell_length_b   10.57032877
_cell_length_c   47.24541673
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.58079346
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe36 Ni36'
_cell_volume   1743.91573126
_cell_formula_units_Z   36
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  0.686582  0.956370  0.285147  1
  Fe  Fe2  1  0.846341  0.276257  0.297409  1
  Fe  Fe3  1  0.007234  0.597951  0.309565  1
  Fe  Fe4  1  0.170214  0.923752  0.323026  1
  Fe  Fe5  1  0.331475  0.246438  0.335478  1
  Fe  Fe6  1  0.493096  0.569636  0.347430  1
  Fe  Fe7  1  0.654948  0.893297  0.359591  1
  Fe  Fe8  1  0.817065  0.217594  0.372272  1
  Fe  Fe9  1  0.978900  0.541262  0.384365  1
  Fe  Fe10  1  0.140307  0.864072  0.396564  1
  Fe  Fe11  1  0.302544  0.188556  0.409201  1
  Fe  Fe12  1  0.464499  0.512471  0.421474  1
  Fe  Fe13  1  0.625986  0.835453  0.433725  1
  Fe  Fe14  1  0.787971  0.159427  0.446149  1
  Fe  Fe15  1  0.949957  0.483402  0.458527  1
  Fe  Fe16  1  0.111636  0.806770  0.470825  1
  Fe  Fe17  1  0.273488  0.130478  0.483159  1
  Fe  Fe18  1  0.435392  0.454289  0.495546  1
  Fe  Fe19  1  0.597218  0.777950  0.507883  1
  Fe  Fe20  1  0.759078  0.101676  0.520225  1
  Fe  Fe21  1  0.920859  0.425241  0.532572  1
  Fe  Fe22  1  0.082713  0.748958  0.544898  1
  Fe  Fe23  1  0.244679  0.072895  0.557300  1
  Fe  Fe24  1  0.406389  0.396320  0.569631  1
  Fe  Fe25  1  0.568171  0.719885  0.581896  1
  Fe  Fe26  1  0.730212  0.043983  0.594362  1
  Fe  Fe27  1  0.892032  0.367625  0.606752  1
  Fe  Fe28  1  0.053766  0.691075  0.618910  1
  Fe  Fe29  1  0.215514  0.014623  0.631283  1
  Fe  Fe30  1  0.377646  0.338901  0.643856  1
  Fe  Fe31  1  0.539367  0.662265  0.655812  1
  Fe  Fe32  1  0.700707  0.985027  0.667970  1
  Fe  Fe33  1  0.863182  0.310080  0.680835  1
  Fe  Fe34  1  0.024662  0.632774  0.693798  1
  Fe  Fe35  1  0.185651  0.954901  0.705987  1
  Fe  Fe36  1  0.346519  0.277411  0.718300  1
  Ni  Ni37  1  0.105739  0.794302  0.280300  1
  Ni  Ni38  1  0.265815  0.115097  0.292397  1
  Ni  Ni39  1  0.426337  0.436280  0.304581  1
  Ni  Ni40  1  0.589066  0.761400  0.315976  1
  Ni  Ni41  1  0.751077  0.085586  0.328945  1
  Ni  Ni42  1  0.912064  0.407645  0.341199  1
  Ni  Ni43  1  0.073741  0.730879  0.353031  1
  Ni  Ni44  1  0.236124  0.055686  0.366047  1
  Ni  Ni45  1  0.398044  0.379569  0.378360  1
  Ni  Ni46  1  0.559677  0.702800  0.390426  1
  Ni  Ni47  1  0.721375  0.026211  0.402948  1
  Ni  Ni48  1  0.883587  0.350649  0.415368  1
  Ni  Ni49  1  0.045242  0.673959  0.427580  1
  Ni  Ni50  1  0.206888  0.997259  0.439916  1
  Ni  Ni51  1  0.369023  0.321532  0.452358  1
  Ni  Ni52  1  0.530800  0.645092  0.464673  1
  Ni  Ni53  1  0.692533  0.968567  0.476979  1
  Ni  Ni54  1  0.854459  0.292421  0.489363  1
  Ni  Ni55  1  0.016297  0.616104  0.501715  1
  Ni  Ni56  1  0.178154  0.939825  0.514049  1
  Ni  Ni57  1  0.339971  0.263463  0.526405  1
  Ni  Ni58  1  0.501763  0.587052  0.538735  1
  Ni  Ni59  1  0.663719  0.910971  0.551089  1
  Ni  Ni60  1  0.825557  0.234656  0.563489  1
  Ni  Ni61  1  0.987261  0.558062  0.575766  1
  Ni  Ni62  1  0.149178  0.881906  0.588065  1
  Ni  Ni63  1  0.311142  0.205853  0.600578  1
  Ni  Ni64  1  0.472803  0.529153  0.612820  1
  Ni  Ni65  1  0.634521  0.852597  0.625054  1
  Ni  Ni66  1  0.796786  0.177188  0.637693  1
  Ni  Ni67  1  0.958882  0.501306  0.649979  1
  Ni  Ni68  1  0.119943  0.823421  0.662254  1
  Ni  Ni69  1  0.281465  0.146622  0.674621  1
  Ni  Ni70  1  0.443902  0.471316  0.686842  1
  Ni  Ni71  1  0.605678  0.794824  0.698813  1
  Ni  Ni72  1  0.766121  0.116085  0.711010  1
