# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48273079
_cell_length_b   8.34927401
_cell_length_c   47.34957338
_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   'Cr42 Ni84'
_cell_volume   2958.18210498
_cell_formula_units_Z   42
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  0.002804  0.735716  0.295415  1
  Cr  Cr2  1  0.002804  0.015254  0.274713  1
  Cr  Cr3  1  1.002804  0.458774  0.319407  1
  Cr  Cr4  1  0.502804  0.958774  0.319407  1
  Cr  Cr5  1  0.502804  0.235716  0.295415  1
  Cr  Cr6  1  0.502804  0.515254  0.274713  1
  Cr  Cr7  1  0.002804  0.907487  0.363273  1
  Cr  Cr8  1  0.002804  0.183507  0.340438  1
  Cr  Cr9  1  0.002804  0.631509  0.384839  1
  Cr  Cr10  1  0.502804  0.131509  0.384839  1
  Cr  Cr11  1  0.502804  0.407487  0.363273  1
  Cr  Cr12  1  0.502804  0.683507  0.340438  1
  Cr  Cr13  1  0.002804  0.079731  0.429514  1
  Cr  Cr14  1  0.002804  0.355566  0.407595  1
  Cr  Cr15  1  0.002804  0.803667  0.452036  1
  Cr  Cr16  1  0.502804  0.303667  0.452036  1
  Cr  Cr17  1  0.502804  0.579731  0.429514  1
  Cr  Cr18  1  0.502804  0.855566  0.407595  1
  Cr  Cr19  1  1.002804  0.251799  0.496425  1
  Cr  Cr20  1  0.002804  0.527740  0.474141  1
  Cr  Cr21  1  1.002804  0.975857  0.518709  1
  Cr  Cr22  1  0.502804  0.475857  0.518709  1
  Cr  Cr23  1  0.502804  0.751799  0.496425  1
  Cr  Cr24  1  0.502804  0.027740  0.474141  1
  Cr  Cr25  1  1.002804  0.423867  0.563335  1
  Cr  Cr26  1  0.002804  0.699930  0.540813  1
  Cr  Cr27  1  0.002804  0.148031  0.585255  1
  Cr  Cr28  1  0.502804  0.648031  0.585255  1
  Cr  Cr29  1  0.502804  0.923867  0.563335  1
  Cr  Cr30  1  0.502804  0.199930  0.540813  1
  Cr  Cr31  1  1.002804  0.596111  0.629577  1
  Cr  Cr32  1  0.002804  0.872088  0.608010  1
  Cr  Cr33  1  0.002804  0.320091  0.652412  1
  Cr  Cr34  1  0.502804  0.820091  0.652412  1
  Cr  Cr35  1  0.502804  0.096111  0.629577  1
  Cr  Cr36  1  0.502804  0.372088  0.608010  1
  Cr  Cr37  1  0.002804  0.767882  0.697434  1
  Cr  Cr38  1  0.002804  0.044823  0.673442  1
  Cr  Cr39  1  1.002804  0.488344  0.718136  1
  Cr  Cr40  1  0.502804  0.988344  0.718136  1
  Cr  Cr41  1  0.502804  0.267882  0.697434  1
  Cr  Cr42  1  0.502804  0.544823  0.673442  1
  Ni  Ni43  1  0.170073  0.958587  0.318836  1
  Ni  Ni44  1  0.171330  0.232027  0.296015  1
  Ni  Ni45  1  0.168592  0.498087  0.275147  1
  Ni  Ni46  1  0.334278  0.732027  0.296015  1
  Ni  Ni47  1  0.337016  0.998087  0.275147  1
  Ni  Ni48  1  0.335534  0.458587  0.318836  1
  Ni  Ni49  1  0.671330  0.732027  0.296015  1
  Ni  Ni50  1  0.668592  0.998087  0.275147  1
  Ni  Ni51  1  0.670073  0.458587  0.318836  1
  Ni  Ni52  1  0.835534  0.958587  0.318836  1
  Ni  Ni53  1  0.834278  0.232027  0.296015  1
  Ni  Ni54  1  0.837016  0.498087  0.275147  1
  Ni  Ni55  1  0.171089  0.132054  0.384971  1
  Ni  Ni56  1  0.171401  0.407101  0.363218  1
  Ni  Ni57  1  0.170585  0.684229  0.340203  1
  Ni  Ni58  1  0.334207  0.907101  0.363218  1
  Ni  Ni59  1  0.335023  0.184229  0.340203  1
  Ni  Ni60  1  0.334518  0.632054  0.384971  1
  Ni  Ni61  1  0.671401  0.907101  0.363218  1
  Ni  Ni62  1  0.670585  0.184229  0.340203  1
  Ni  Ni63  1  0.671089  0.632054  0.384971  1
  Ni  Ni64  1  0.834518  0.132054  0.384971  1
  Ni  Ni65  1  0.834207  0.407101  0.363218  1
  Ni  Ni66  1  0.835023  0.684229  0.340203  1
  Ni  Ni67  1  0.170807  0.303559  0.451986  1
  Ni  Ni68  1  0.170773  0.579805  0.429563  1
  Ni  Ni69  1  0.170678  0.855313  0.407595  1
  Ni  Ni70  1  0.334835  0.079805  0.429563  1
  Ni  Ni71  1  0.334930  0.355313  0.407595  1
  Ni  Ni72  1  0.334800  0.803559  0.451986  1
  Ni  Ni73  1  0.670773  0.079805  0.429563  1
  Ni  Ni74  1  0.670678  0.355313  0.407595  1
  Ni  Ni75  1  0.670807  0.803559  0.451986  1
  Ni  Ni76  1  0.834800  0.303559  0.451986  1
  Ni  Ni77  1  0.834835  0.579805  0.429563  1
  Ni  Ni78  1  0.834930  0.855313  0.407595  1
  Ni  Ni79  1  0.170864  0.475785  0.518715  1
  Ni  Ni80  1  0.170874  0.751799  0.496425  1
  Ni  Ni81  1  0.170864  0.027813  0.474134  1
  Ni  Ni82  1  0.334733  0.251799  0.496425  1
  Ni  Ni83  1  0.334743  0.527813  0.474134  1
  Ni  Ni84  1  0.334743  0.975785  0.518715  1
  Ni  Ni85  1  0.670874  0.251799  0.496425  1
  Ni  Ni86  1  0.670864  0.527813  0.474134  1
  Ni  Ni87  1  0.670864  0.975785  0.518715  1
  Ni  Ni88  1  0.834743  0.475785  0.518715  1
  Ni  Ni89  1  0.834733  0.751799  0.496425  1
  Ni  Ni90  1  0.834743  0.027813  0.474134  1
  Ni  Ni91  1  0.170678  0.648285  0.585255  1
  Ni  Ni92  1  0.170773  0.923793  0.563286  1
  Ni  Ni93  1  0.170807  0.200038  0.540863  1
  Ni  Ni94  1  0.334835  0.423793  0.563286  1
  Ni  Ni95  1  0.334800  0.700038  0.540863  1
  Ni  Ni96  1  0.334930  0.148285  0.585255  1
  Ni  Ni97  1  0.670773  0.423793  0.563286  1
  Ni  Ni98  1  0.670807  0.700038  0.540863  1
  Ni  Ni99  1  0.670678  0.148285  0.585255  1
  Ni  Ni100  1  0.834930  0.648285  0.585255  1
  Ni  Ni101  1  0.834835  0.923793  0.563286  1
  Ni  Ni102  1  0.834800  0.200038  0.540863  1
  Ni  Ni103  1  0.170585  0.819369  0.652647  1
  Ni  Ni104  1  0.171401  0.096496  0.629632  1
  Ni  Ni105  1  0.171089  0.371543  0.607878  1
  Ni  Ni106  1  0.334207  0.596496  0.629632  1
  Ni  Ni107  1  0.334518  0.871543  0.607878  1
  Ni  Ni108  1  0.335023  0.319369  0.652647  1
  Ni  Ni109  1  0.671401  0.596496  0.629632  1
  Ni  Ni110  1  0.671089  0.871543  0.607878  1
  Ni  Ni111  1  0.670585  0.319369  0.652647  1
  Ni  Ni112  1  0.835023  0.819369  0.652647  1
  Ni  Ni113  1  0.834207  0.096496  0.629632  1
  Ni  Ni114  1  0.834518  0.371543  0.607878  1
  Ni  Ni115  1  0.168592  0.005511  0.717702  1
  Ni  Ni116  1  0.171330  0.271570  0.696834  1
  Ni  Ni117  1  0.170073  0.545011  0.674013  1
  Ni  Ni118  1  0.334278  0.771570  0.696834  1
  Ni  Ni119  1  0.335534  0.045011  0.674013  1
  Ni  Ni120  1  0.337016  0.505511  0.717702  1
  Ni  Ni121  1  0.671330  0.771570  0.696834  1
  Ni  Ni122  1  0.670073  0.045011  0.674013  1
  Ni  Ni123  1  0.668592  0.505511  0.717702  1
  Ni  Ni124  1  0.837016  0.005511  0.717702  1
  Ni  Ni125  1  0.834278  0.271570  0.696834  1
  Ni  Ni126  1  0.835534  0.545011  0.674013  1
