# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48667150
_cell_length_b   6.28722106
_cell_length_c   48.48264032
_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   'Cr28 Ni56'
_cell_volume   2282.09526935
_cell_formula_units_Z   28
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  1.000544  0.648635  0.285931  1
  Cr  Cr2  1  1.000544  0.336657  0.318005  1
  Cr  Cr3  1  0.500544  0.999533  0.302113  1
  Cr  Cr4  1  0.500544  0.681309  0.335510  1
  Cr  Cr5  1  1.000544  0.020277  0.350858  1
  Cr  Cr6  1  1.000544  0.698292  0.382062  1
  Cr  Cr7  1  0.500544  0.358515  0.366492  1
  Cr  Cr8  1  0.500544  0.036173  0.397377  1
  Cr  Cr9  1  1.000544  0.375879  0.413026  1
  Cr  Cr10  1  1.000544  0.054971  0.444269  1
  Cr  Cr11  1  0.500544  0.715380  0.428642  1
  Cr  Cr12  1  0.500544  0.394792  0.459943  1
  Cr  Cr13  1  1.000544  0.734362  0.475572  1
  Cr  Cr14  1  1.000544  0.413434  0.506796  1
  Cr  Cr15  1  0.500544  0.073897  0.491177  1
  Cr  Cr16  1  0.500544  0.752969  0.522401  1
  Cr  Cr17  1  0.000544  0.092539  0.538030  1
  Cr  Cr18  1  0.000544  0.771951  0.569331  1
  Cr  Cr19  1  0.500544  0.432360  0.553704  1
  Cr  Cr20  1  0.500544  0.111452  0.584947  1
  Cr  Cr21  1  1.000544  0.451159  0.600596  1
  Cr  Cr22  1  1.000544  0.128816  0.631481  1
  Cr  Cr23  1  0.500544  0.789039  0.615911  1
  Cr  Cr24  1  0.500544  0.467054  0.647115  1
  Cr  Cr25  1  0.000544  0.806022  0.662463  1
  Cr  Cr26  1  0.000544  0.487798  0.695860  1
  Cr  Cr27  1  0.500544  0.150674  0.679968  1
  Cr  Cr28  1  0.500544  0.838696  0.712042  1
  Ni  Ni29  1  0.169607  0.992928  0.303975  1
  Ni  Ni30  1  0.170933  0.677241  0.335044  1
  Ni  Ni31  1  0.333487  0.650468  0.289331  1
  Ni  Ni32  1  0.329841  0.335395  0.319564  1
  Ni  Ni33  1  0.667601  0.650468  0.289331  1
  Ni  Ni34  1  0.671248  0.335395  0.319564  1
  Ni  Ni35  1  0.831481  0.992928  0.303975  1
  Ni  Ni36  1  0.830156  0.677241  0.335044  1
  Ni  Ni37  1  0.171601  0.357674  0.366063  1
  Ni  Ni38  1  0.172293  0.036984  0.397450  1
  Ni  Ni39  1  0.329538  0.017202  0.350492  1
  Ni  Ni40  1  0.328574  0.697061  0.381857  1
  Ni  Ni41  1  0.671551  0.017202  0.350492  1
  Ni  Ni42  1  0.672514  0.697061  0.381857  1
  Ni  Ni43  1  0.829488  0.357674  0.366063  1
  Ni  Ni44  1  0.828796  0.036984  0.397450  1
  Ni  Ni45  1  0.172065  0.715618  0.428743  1
  Ni  Ni46  1  0.171953  0.394650  0.459936  1
  Ni  Ni47  1  0.328923  0.376031  0.413086  1
  Ni  Ni48  1  0.329177  0.055141  0.444309  1
  Ni  Ni49  1  0.672166  0.376031  0.413086  1
  Ni  Ni50  1  0.671912  0.055141  0.444309  1
  Ni  Ni51  1  0.829024  0.715618  0.428743  1
  Ni  Ni52  1  0.829136  0.394650  0.459936  1
  Ni  Ni53  1  0.171998  0.073878  0.491167  1
  Ni  Ni54  1  0.171970  0.753037  0.522418  1
  Ni  Ni55  1  0.329118  0.734294  0.475555  1
  Ni  Ni56  1  0.329091  0.413453  0.506806  1
  Ni  Ni57  1  0.671970  0.734294  0.475555  1
  Ni  Ni58  1  0.671998  0.413453  0.506806  1
  Ni  Ni59  1  0.829091  0.073878  0.491167  1
  Ni  Ni60  1  0.829118  0.753037  0.522418  1
  Ni  Ni61  1  0.171912  0.432190  0.553664  1
  Ni  Ni62  1  0.172166  0.111300  0.584887  1
  Ni  Ni63  1  0.329136  0.092681  0.538037  1
  Ni  Ni64  1  0.329024  0.771713  0.569230  1
  Ni  Ni65  1  0.671953  0.092681  0.538037  1
  Ni  Ni66  1  0.672065  0.771713  0.569230  1
  Ni  Ni67  1  0.829177  0.432190  0.553664  1
  Ni  Ni68  1  0.828923  0.111300  0.584887  1
  Ni  Ni69  1  0.172514  0.790270  0.616116  1
  Ni  Ni70  1  0.171551  0.470129  0.647482  1
  Ni  Ni71  1  0.328796  0.450347  0.600523  1
  Ni  Ni72  1  0.329488  0.129657  0.631910  1
  Ni  Ni73  1  0.672293  0.450347  0.600523  1
  Ni  Ni74  1  0.671601  0.129657  0.631910  1
  Ni  Ni75  1  0.828574  0.790270  0.616116  1
  Ni  Ni76  1  0.829538  0.470129  0.647482  1
  Ni  Ni77  1  0.171248  0.151936  0.678409  1
  Ni  Ni78  1  0.167601  0.836863  0.708642  1
  Ni  Ni79  1  0.330156  0.810090  0.662930  1
  Ni  Ni80  1  0.331481  0.494403  0.693999  1
  Ni  Ni81  1  0.670933  0.810090  0.662930  1
  Ni  Ni82  1  0.669607  0.494403  0.693999  1
  Ni  Ni83  1  0.829841  0.151936  0.678409  1
  Ni  Ni84  1  0.833487  0.836863  0.708642  1
