# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52453591
_cell_length_b   3.72914157
_cell_length_c   52.70688191
_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   'Cr6 Ni12'
_cell_volume   496.201127673
_cell_formula_units_Z   6
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  1.000222  0.006188  0.293843  1
  Cr  Cr2  1  0.500222  0.506188  0.367029  1
  Cr  Cr3  1  1.000222  0.006188  0.438310  1
  Cr  Cr4  1  0.500222  0.506188  0.509673  1
  Cr  Cr5  1  1.000222  0.006188  0.581063  1
  Cr  Cr6  1  0.500222  0.506188  0.652169  1
  Ni  Ni7  1  0.500222  0.506188  0.413828  1
  Ni  Ni8  1  1.000222  0.006188  0.391446  1
  Ni  Ni9  1  1.000222  0.006188  0.342327  1
  Ni  Ni10  1  0.500222  0.506188  0.320476  1
  Ni  Ni11  1  0.500222  0.506188  0.556500  1
  Ni  Ni12  1  1.000222  0.006188  0.534207  1
  Ni  Ni13  1  1.000222  0.006188  0.485155  1
  Ni  Ni14  1  0.500222  0.506188  0.462839  1
  Ni  Ni15  1  0.500222  0.506188  0.699012  1
  Ni  Ni16  1  1.000222  0.006188  0.677166  1
  Ni  Ni17  1  1.000222  0.006188  0.627985  1
  Ni  Ni18  1  0.500222  0.506188  0.605457  1
