# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55212852
_cell_length_b   10.40904027
_cell_length_c   50.35788176
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr54 Ni108'
_cell_volume   3958.65372819
_cell_formula_units_Z   54
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
  Cr  Cr1  1  -0.001817  0.165055  0.291615  1
  Cr  Cr2  1  -0.001817  0.876691  0.277807  1
  Cr  Cr3  1  -0.001817  0.492927  0.311086  1
  Cr  Cr4  1  0.498183  0.376691  0.277807  1
  Cr  Cr5  1  0.498183  0.992927  0.311086  1
  Cr  Cr6  1  0.498183  0.665055  0.291615  1
  Cr  Cr7  1  -0.001817  0.116081  0.343504  1
  Cr  Cr8  1  -0.001817  0.797918  0.325991  1
  Cr  Cr9  1  -0.001817  0.423507  0.359320  1
  Cr  Cr10  1  0.498183  0.297918  0.325991  1
  Cr  Cr11  1  0.498183  0.923507  0.359320  1
  Cr  Cr12  1  0.498183  0.616081  0.343504  1
  Cr  Cr13  1  -0.001817  0.049274  0.392849  1
  Cr  Cr14  1  -0.001817  0.741495  0.376970  1
  Cr  Cr15  1  -0.001817  0.365483  0.410234  1
  Cr  Cr16  1  0.498183  0.241495  0.376970  1
  Cr  Cr17  1  0.498183  0.865483  0.410234  1
  Cr  Cr18  1  0.498183  0.549274  0.392849  1
  Cr  Cr19  1  -0.001817  0.989984  0.443522  1
  Cr  Cr20  1  -0.001817  0.675754  0.426544  1
  Cr  Cr21  1  -0.001817  0.301344  0.460032  1
  Cr  Cr22  1  0.498183  0.175754  0.426544  1
  Cr  Cr23  1  0.498183  0.801344  0.460032  1
  Cr  Cr24  1  0.498183  0.489984  0.443522  1
  Cr  Cr25  1  -0.001817  0.927193  0.493558  1
  Cr  Cr26  1  -0.001817  0.614885  0.476905  1
  Cr  Cr27  1  -0.001817  0.239501  0.510211  1
  Cr  Cr28  1  0.498183  0.114885  0.476905  1
  Cr  Cr29  1  0.498183  0.739501  0.510211  1
  Cr  Cr30  1  0.498183  0.427193  0.493558  1
  Cr  Cr31  1  -0.001817  0.864402  0.543593  1
  Cr  Cr32  1  -0.001817  0.553042  0.527083  1
  Cr  Cr33  1  -0.001817  0.178631  0.560571  1
  Cr  Cr34  1  0.498183  0.053042  0.527083  1
  Cr  Cr35  1  0.498183  0.678631  0.560571  1
  Cr  Cr36  1  0.498183  0.364402  0.543593  1
  Cr  Cr37  1  -0.001817  0.805111  0.594266  1
  Cr  Cr38  1  -0.001817  0.488902  0.576881  1
  Cr  Cr39  1  -0.001817  0.112891  0.610145  1
  Cr  Cr40  1  0.498183  0.988902  0.576881  1
  Cr  Cr41  1  0.498183  0.612891  0.610145  1
  Cr  Cr42  1  0.498183  0.305111  0.594266  1
  Cr  Cr43  1  -0.001817  0.738305  0.643612  1
  Cr  Cr44  1  -0.001817  0.430879  0.627796  1
  Cr  Cr45  1  -0.001817  0.056468  0.661124  1
  Cr  Cr46  1  0.498183  0.930879  0.627796  1
  Cr  Cr47  1  0.498183  0.556468  0.661124  1
  Cr  Cr48  1  0.498183  0.238305  0.643612  1
  Cr  Cr49  1  -0.001817  0.689331  0.695500  1
  Cr  Cr50  1  -0.001817  0.361459  0.676029  1
  Cr  Cr51  1  -0.001817  0.977695  0.709308  1
  Cr  Cr52  1  0.498183  0.861459  0.676029  1
  Cr  Cr53  1  0.498183  0.477695  0.709308  1
  Cr  Cr54  1  0.498183  0.189331  0.695500  1
  Ni  Ni55  1  0.163154  0.366528  0.278632  1
  Ni  Ni56  1  0.168197  0.988331  0.311848  1
  Ni  Ni57  1  0.165556  0.674022  0.292668  1
  Ni  Ni58  1  0.330811  0.174022  0.292668  1
  Ni  Ni59  1  0.333212  0.866528  0.278632  1
  Ni  Ni60  1  0.328170  0.488331  0.311848  1
  Ni  Ni61  1  0.665556  0.174022  0.292668  1
  Ni  Ni62  1  0.663154  0.866528  0.278632  1
  Ni  Ni63  1  0.668197  0.488331  0.311848  1
  Ni  Ni64  1  0.833212  0.366528  0.278632  1
  Ni  Ni65  1  0.828170  0.988331  0.311848  1
  Ni  Ni66  1  0.830811  0.674022  0.292668  1
  Ni  Ni67  1  0.164556  0.297190  0.325730  1
  Ni  Ni68  1  0.167107  0.924345  0.359618  1
  Ni  Ni69  1  0.166131  0.615719  0.343851  1
  Ni  Ni70  1  0.330236  0.115719  0.343851  1
  Ni  Ni71  1  0.331811  0.797190  0.325730  1
  Ni  Ni72  1  0.329260  0.424345  0.359618  1
  Ni  Ni73  1  0.666131  0.115719  0.343851  1
  Ni  Ni74  1  0.664556  0.797190  0.325730  1
  Ni  Ni75  1  0.667107  0.424345  0.359618  1
  Ni  Ni76  1  0.831811  0.297190  0.325730  1
  Ni  Ni77  1  0.829260  0.924345  0.359618  1
  Ni  Ni78  1  0.830236  0.615719  0.343851  1
  Ni  Ni79  1  0.166043  0.239515  0.377019  1
  Ni  Ni80  1  0.166746  0.864630  0.410344  1
  Ni  Ni81  1  0.165905  0.550725  0.392966  1
  Ni  Ni82  1  0.330462  0.050725  0.392966  1
  Ni  Ni83  1  0.330324  0.739515  0.377019  1
  Ni  Ni84  1  0.329621  0.364630  0.410344  1
  Ni  Ni85  1  0.665905  0.050725  0.392966  1
  Ni  Ni86  1  0.666043  0.739515  0.377019  1
  Ni  Ni87  1  0.666746  0.364630  0.410344  1
  Ni  Ni88  1  0.830324  0.239515  0.377019  1
  Ni  Ni89  1  0.829621  0.864630  0.410344  1
  Ni  Ni90  1  0.830462  0.550725  0.392966  1
  Ni  Ni91  1  0.166152  0.175946  0.426503  1
  Ni  Ni92  1  0.166366  0.801647  0.460061  1
  Ni  Ni93  1  0.166362  0.489715  0.443599  1
  Ni  Ni94  1  0.330005  0.989715  0.443599  1
  Ni  Ni95  1  0.330215  0.675946  0.426503  1
  Ni  Ni96  1  0.330001  0.301647  0.460061  1
  Ni  Ni97  1  0.666362  0.989715  0.443599  1
  Ni  Ni98  1  0.666152  0.675946  0.426503  1
  Ni  Ni99  1  0.666366  0.301647  0.460061  1
  Ni  Ni100  1  0.830215  0.175946  0.426503  1
  Ni  Ni101  1  0.830001  0.801647  0.460061  1
  Ni  Ni102  1  0.830005  0.489715  0.443599  1
  Ni  Ni103  1  0.166445  0.114627  0.476893  1
  Ni  Ni104  1  0.166445  0.739759  0.510223  1
  Ni  Ni105  1  0.166194  0.427193  0.493558  1
  Ni  Ni106  1  0.330173  0.927193  0.493558  1
  Ni  Ni107  1  0.329922  0.614627  0.476893  1
  Ni  Ni108  1  0.329922  0.239759  0.510223  1
  Ni  Ni109  1  0.666194  0.927193  0.493558  1
  Ni  Ni110  1  0.666445  0.614627  0.476893  1
  Ni  Ni111  1  0.666445  0.239759  0.510223  1
  Ni  Ni112  1  0.829922  0.114627  0.476893  1
  Ni  Ni113  1  0.829922  0.739759  0.510223  1
  Ni  Ni114  1  0.830173  0.427193  0.493558  1
  Ni  Ni115  1  0.166366  0.052739  0.527055  1
  Ni  Ni116  1  0.166152  0.678440  0.560613  1
  Ni  Ni117  1  0.166362  0.364671  0.543516  1
  Ni  Ni118  1  0.330005  0.864671  0.543516  1
  Ni  Ni119  1  0.330001  0.552739  0.527055  1
  Ni  Ni120  1  0.330215  0.178440  0.560613  1
  Ni  Ni121  1  0.666362  0.864671  0.543516  1
  Ni  Ni122  1  0.666366  0.552739  0.527055  1
  Ni  Ni123  1  0.666152  0.178440  0.560613  1
  Ni  Ni124  1  0.830001  0.052739  0.527055  1
  Ni  Ni125  1  0.830215  0.678440  0.560613  1
  Ni  Ni126  1  0.830005  0.364671  0.543516  1
  Ni  Ni127  1  0.166746  0.989755  0.576772  1
  Ni  Ni128  1  0.166043  0.614871  0.610097  1
  Ni  Ni129  1  0.165905  0.303661  0.594149  1
  Ni  Ni130  1  0.330462  0.803661  0.594149  1
  Ni  Ni131  1  0.329621  0.489755  0.576772  1
  Ni  Ni132  1  0.330324  0.114871  0.610097  1
  Ni  Ni133  1  0.665905  0.803661  0.594149  1
  Ni  Ni134  1  0.666746  0.489755  0.576772  1
  Ni  Ni135  1  0.666043  0.114871  0.610097  1
  Ni  Ni136  1  0.829621  0.989755  0.576772  1
  Ni  Ni137  1  0.830324  0.614871  0.610097  1
  Ni  Ni138  1  0.830462  0.303661  0.594149  1
  Ni  Ni139  1  0.167107  0.930041  0.627497  1
  Ni  Ni140  1  0.164556  0.557196  0.661385  1
  Ni  Ni141  1  0.166131  0.238667  0.643265  1
  Ni  Ni142  1  0.330236  0.738667  0.643265  1
  Ni  Ni143  1  0.329260  0.430041  0.627497  1
  Ni  Ni144  1  0.331811  0.057196  0.661385  1
  Ni  Ni145  1  0.666131  0.738667  0.643265  1
  Ni  Ni146  1  0.667107  0.430041  0.627497  1
  Ni  Ni147  1  0.664556  0.057196  0.661385  1
  Ni  Ni148  1  0.829260  0.930041  0.627497  1
  Ni  Ni149  1  0.831811  0.557196  0.661385  1
  Ni  Ni150  1  0.830236  0.238667  0.643265  1
  Ni  Ni151  1  0.168197  0.866055  0.675267  1
  Ni  Ni152  1  0.163154  0.487858  0.708483  1
  Ni  Ni153  1  0.165556  0.180364  0.694447  1
  Ni  Ni154  1  0.330811  0.680364  0.694447  1
  Ni  Ni155  1  0.328170  0.366055  0.675267  1
  Ni  Ni156  1  0.333212  0.987858  0.708483  1
  Ni  Ni157  1  0.665556  0.680364  0.694447  1
  Ni  Ni158  1  0.668197  0.366055  0.675267  1
  Ni  Ni159  1  0.663154  0.987858  0.708483  1
  Ni  Ni160  1  0.828170  0.866055  0.675267  1
  Ni  Ni161  1  0.833212  0.487858  0.708483  1
  Ni  Ni162  1  0.830811  0.180364  0.694447  1
