# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.50933003
_cell_length_b   4.29292920
_cell_length_c   47.08262338
_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   'Cr20 Ni40'
_cell_volume   1517.80357281
_cell_formula_units_Z   20
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  1.001023  0.973166  0.305488  1
  Cr  Cr2  1  0.501023  0.473166  0.305488  1
  Cr  Cr3  1  1.001023  0.628856  0.349144  1
  Cr  Cr4  1  0.501023  0.128856  0.349144  1
  Cr  Cr5  1  1.001023  0.272390  0.392381  1
  Cr  Cr6  1  0.501023  0.772390  0.392381  1
  Cr  Cr7  1  1.001023  0.918530  0.436010  1
  Cr  Cr8  1  0.501023  0.418530  0.436010  1
  Cr  Cr9  1  1.001023  0.563739  0.479603  1
  Cr  Cr10  1  0.501023  0.063739  0.479603  1
  Cr  Cr11  1  1.001023  0.208646  0.523167  1
  Cr  Cr12  1  0.501023  0.708646  0.523167  1
  Cr  Cr13  1  1.001023  0.853855  0.566761  1
  Cr  Cr14  1  0.501023  0.353855  0.566761  1
  Cr  Cr15  1  1.001023  0.499995  0.610389  1
  Cr  Cr16  1  0.501023  -0.000005  0.610389  1
  Cr  Cr17  1  1.001023  0.143530  0.653626  1
  Cr  Cr18  1  0.501023  0.643530  0.653626  1
  Cr  Cr19  1  1.001023  0.799219  0.697283  1
  Cr  Cr20  1  0.501023  0.299219  0.697283  1
  Ni  Ni21  1  0.168157  0.469099  0.306363  1
  Ni  Ni22  1  0.333888  0.969099  0.306363  1
  Ni  Ni23  1  0.668157  0.969099  0.306363  1
  Ni  Ni24  1  0.833888  0.469099  0.306363  1
  Ni  Ni25  1  0.168772  0.125348  0.348930  1
  Ni  Ni26  1  0.333274  0.625348  0.348930  1
  Ni  Ni27  1  0.668772  0.625348  0.348930  1
  Ni  Ni28  1  0.833274  0.125348  0.348930  1
  Ni  Ni29  1  0.169358  0.772239  0.392512  1
  Ni  Ni30  1  0.332687  0.272239  0.392512  1
  Ni  Ni31  1  0.669358  0.272239  0.392512  1
  Ni  Ni32  1  0.832687  0.772239  0.392512  1
  Ni  Ni33  1  0.169001  0.418321  0.436035  1
  Ni  Ni34  1  0.333044  0.918321  0.436035  1
  Ni  Ni35  1  0.669001  0.918321  0.436035  1
  Ni  Ni36  1  0.833044  0.418321  0.436035  1
  Ni  Ni37  1  0.169128  0.063621  0.479596  1
  Ni  Ni38  1  0.332918  0.563621  0.479596  1
  Ni  Ni39  1  0.669128  0.563621  0.479596  1
  Ni  Ni40  1  0.832918  0.063621  0.479596  1
  Ni  Ni41  1  0.169128  0.708764  0.523174  1
  Ni  Ni42  1  0.332918  0.208764  0.523174  1
  Ni  Ni43  1  0.669128  0.208764  0.523174  1
  Ni  Ni44  1  0.832918  0.708764  0.523174  1
  Ni  Ni45  1  0.169001  0.354064  0.566735  1
  Ni  Ni46  1  0.333044  0.854064  0.566735  1
  Ni  Ni47  1  0.669001  0.854064  0.566735  1
  Ni  Ni48  1  0.833044  0.354064  0.566735  1
  Ni  Ni49  1  0.169358  0.000146  0.610259  1
  Ni  Ni50  1  0.332687  0.500146  0.610259  1
  Ni  Ni51  1  0.669358  0.500146  0.610259  1
  Ni  Ni52  1  0.832687  0.000146  0.610259  1
  Ni  Ni53  1  0.168772  0.647037  0.653840  1
  Ni  Ni54  1  0.333274  0.147037  0.653840  1
  Ni  Ni55  1  0.668772  0.147037  0.653840  1
  Ni  Ni56  1  0.833274  0.647037  0.653840  1
  Ni  Ni57  1  0.168157  0.303286  0.696408  1
  Ni  Ni58  1  0.333888  0.803286  0.696408  1
  Ni  Ni59  1  0.668157  0.803286  0.696408  1
  Ni  Ni60  1  0.833888  0.303286  0.696408  1
