# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34894990
_cell_length_b   8.47881243
_cell_length_c   45.46773874
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.08483646
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe66 Ni66'
_cell_volume   3388.60185626
_cell_formula_units_Z   66
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  0.054714  0.434131  0.288312  1
  Fe  Fe2  1  0.317469  0.339593  0.313766  1
  Fe  Fe3  1  0.694006  0.394814  0.299805  1
  Fe  Fe4  1  0.054714  0.934131  0.288312  1
  Fe  Fe5  1  0.317469  0.839593  0.313766  1
  Fe  Fe6  1  0.694006  0.894814  0.299805  1
  Fe  Fe7  1  0.953484  0.292706  0.326507  1
  Fe  Fe8  1  0.213005  0.195337  0.352704  1
  Fe  Fe9  1  0.581651  0.241935  0.340412  1
  Fe  Fe10  1  0.953484  0.792706  0.326507  1
  Fe  Fe11  1  0.213005  0.695337  0.352704  1
  Fe  Fe12  1  0.581651  0.741935  0.340412  1
  Fe  Fe13  1  0.842011  0.145342  0.366826  1
  Fe  Fe14  1  0.103602  0.047207  0.393576  1
  Fe  Fe15  1  0.473059  0.096944  0.379625  1
  Fe  Fe16  1  0.842011  0.645342  0.366826  1
  Fe  Fe17  1  0.103602  0.547207  0.393576  1
  Fe  Fe18  1  0.473059  0.596944  0.379625  1
  Fe  Fe19  1  0.734161  0.998534  0.406612  1
  Fe  Fe20  1  0.995141  0.900182  0.433368  1
  Fe  Fe21  1  0.364205  0.949008  0.420090  1
  Fe  Fe22  1  0.734161  0.498534  0.406612  1
  Fe  Fe23  1  0.995141  0.400182  0.433368  1
  Fe  Fe24  1  0.364205  0.449008  0.420090  1
  Fe  Fe25  1  0.625181  0.850785  0.446823  1
  Fe  Fe26  1  0.886150  0.752658  0.473510  1
  Fe  Fe27  1  0.255831  0.801972  0.460022  1
  Fe  Fe28  1  0.625181  0.350785  0.446823  1
  Fe  Fe29  1  0.886150  0.252658  0.473510  1
  Fe  Fe30  1  0.255831  0.301972  0.460022  1
  Fe  Fe31  1  0.516611  0.703642  0.486783  1
  Fe  Fe32  1  0.777520  0.605325  0.513578  1
  Fe  Fe33  1  0.147066  0.654484  0.500180  1
  Fe  Fe34  1  0.516611  0.203642  0.486783  1
  Fe  Fe35  1  0.777520  0.105325  0.513578  1
  Fe  Fe36  1  0.147066  0.154484  0.500180  1
  Fe  Fe37  1  0.407981  0.556309  0.526851  1
  Fe  Fe38  1  0.668950  0.458182  0.553538  1
  Fe  Fe39  1  0.038300  0.506995  0.540339  1
  Fe  Fe40  1  0.407981  0.056309  0.526851  1
  Fe  Fe41  1  0.668950  0.958182  0.553538  1
  Fe  Fe42  1  0.038300  0.006995  0.540339  1
  Fe  Fe43  1  0.298990  0.408785  0.566993  1
  Fe  Fe44  1  0.559970  0.310433  0.593749  1
  Fe  Fe45  1  0.929927  0.359959  0.580270  1
  Fe  Fe46  1  0.298990  0.908785  0.566993  1
  Fe  Fe47  1  0.559970  0.810433  0.593749  1
  Fe  Fe48  1  0.929927  0.859959  0.580270  1
  Fe  Fe49  1  0.190529  0.261760  0.606784  1
  Fe  Fe50  1  0.452120  0.163625  0.633534  1
  Fe  Fe51  1  0.821072  0.212023  0.620736  1
  Fe  Fe52  1  0.190529  0.761760  0.606784  1
  Fe  Fe53  1  0.452120  0.663625  0.633534  1
  Fe  Fe54  1  0.821072  0.712023  0.620736  1
  Fe  Fe55  1  0.081127  0.113630  0.647657  1
  Fe  Fe56  1  0.340647  0.016262  0.673854  1
  Fe  Fe57  1  0.712481  0.067032  0.659949  1
  Fe  Fe58  1  0.081127  0.613630  0.647657  1
  Fe  Fe59  1  0.340647  0.516262  0.673854  1
  Fe  Fe60  1  0.712481  0.567032  0.659949  1
  Fe  Fe61  1  0.976662  0.969374  0.686595  1
  Fe  Fe62  1  0.239417  0.874836  0.712048  1
  Fe  Fe63  1  0.600125  0.914153  0.700556  1
  Fe  Fe64  1  0.976662  0.469374  0.686595  1
  Fe  Fe65  1  0.239417  0.374836  0.712048  1
  Fe  Fe66  1  0.600125  0.414153  0.700556  1
  Ni  Ni67  1  0.819417  0.596643  0.313473  1
  Ni  Ni68  1  0.190863  0.635871  0.299361  1
  Ni  Ni69  1  0.557320  0.698396  0.287545  1
  Ni  Ni70  1  0.819417  0.096643  0.313473  1
  Ni  Ni71  1  0.190863  0.135871  0.299361  1
  Ni  Ni72  1  0.557320  0.198396  0.287545  1
  Ni  Ni73  1  0.712732  0.443511  0.353211  1
  Ni  Ni74  1  0.081027  0.495713  0.340599  1
  Ni  Ni75  1  0.452067  0.540001  0.325927  1
  Ni  Ni76  1  0.712732  0.943511  0.353211  1
  Ni  Ni77  1  0.081027  0.995713  0.340599  1
  Ni  Ni78  1  0.452067  0.040001  0.325927  1
  Ni  Ni79  1  0.603127  0.298072  0.393472  1
  Ni  Ni80  1  0.973720  0.345728  0.379922  1
  Ni  Ni81  1  0.342248  0.396740  0.366661  1
  Ni  Ni82  1  0.603127  0.798072  0.393472  1
  Ni  Ni83  1  0.973720  0.845728  0.379922  1
  Ni  Ni84  1  0.342248  0.896740  0.366661  1
  Ni  Ni85  1  0.494902  0.149715  0.433274  1
  Ni  Ni86  1  0.864296  0.199552  0.420129  1
  Ni  Ni87  1  0.234282  0.247830  0.406482  1
  Ni  Ni88  1  0.494902  0.649715  0.433274  1
  Ni  Ni89  1  0.864296  0.699552  0.420129  1
  Ni  Ni90  1  0.234282  0.747830  0.406482  1
  Ni  Ni91  1  0.386108  0.002880  0.473464  1
  Ni  Ni92  1  0.755832  0.051637  0.460100  1
  Ni  Ni93  1  0.125283  0.101244  0.446829  1
  Ni  Ni94  1  0.386108  0.502880  0.473464  1
  Ni  Ni95  1  0.755832  0.551637  0.460100  1
  Ni  Ni96  1  0.125283  0.601244  0.446829  1
  Ni  Ni97  1  0.277444  0.855433  0.513519  1
  Ni  Ni98  1  0.647066  0.904484  0.500180  1
  Ni  Ni99  1  0.016687  0.953534  0.486842  1
  Ni  Ni100  1  0.277444  0.355433  0.513519  1
  Ni  Ni101  1  0.647066  0.404484  0.500180  1
  Ni  Ni102  1  0.016687  0.453534  0.486842  1
  Ni  Ni103  1  0.168848  0.707723  0.553532  1
  Ni  Ni104  1  0.538299  0.757330  0.540261  1
  Ni  Ni105  1  0.908023  0.806087  0.526897  1
  Ni  Ni106  1  0.168848  0.207723  0.553532  1
  Ni  Ni107  1  0.538299  0.257330  0.540261  1
  Ni  Ni108  1  0.908023  0.306087  0.526897  1
  Ni  Ni109  1  0.059849  0.561137  0.593879  1
  Ni  Ni110  1  0.429835  0.609416  0.580232  1
  Ni  Ni111  1  0.799229  0.659252  0.567087  1
  Ni  Ni112  1  0.059849  0.061137  0.593879  1
  Ni  Ni113  1  0.429835  0.109416  0.580232  1
  Ni  Ni114  1  0.799229  0.159252  0.567087  1
  Ni  Ni115  1  0.951884  0.412227  0.633700  1
  Ni  Ni116  1  0.320411  0.463239  0.620439  1
  Ni  Ni117  1  0.691004  0.510895  0.606889  1
  Ni  Ni118  1  0.951884  0.912227  0.633700  1
  Ni  Ni119  1  0.320411  0.963239  0.620439  1
  Ni  Ni120  1  0.691004  0.010895  0.606889  1
  Ni  Ni121  1  0.842064  0.268966  0.674434  1
  Ni  Ni122  1  0.213104  0.313254  0.659762  1
  Ni  Ni123  1  0.581399  0.365456  0.647150  1
  Ni  Ni124  1  0.842064  0.768966  0.674434  1
  Ni  Ni125  1  0.213104  0.813254  0.659762  1
  Ni  Ni126  1  0.581399  0.865456  0.647150  1
  Ni  Ni127  1  0.736811  0.110571  0.712816  1
  Ni  Ni128  1  0.103268  0.173096  0.701000  1
  Ni  Ni129  1  0.474715  0.212324  0.686888  1
  Ni  Ni130  1  0.736811  0.610571  0.712816  1
  Ni  Ni131  1  0.103268  0.673096  0.701000  1
  Ni  Ni132  1  0.474715  0.712324  0.686888  1
