# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.58041579
_cell_length_b   3.36635626
_cell_length_c   53.04717857
_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   460.79955889
_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  0.996271  0.509840  0.294445  1
  Cr  Cr2  1  0.496271  1.009840  0.365422  1
  Cr  Cr3  1  0.996271  0.509840  0.436858  1
  Cr  Cr4  1  0.496271  1.009840  0.508319  1
  Cr  Cr5  1  -0.003729  0.509840  0.579799  1
  Cr  Cr6  1  0.496271  1.009840  0.651059  1
  Ni  Ni7  1  0.496271  1.009840  0.412841  1
  Ni  Ni8  1  0.996271  0.509840  0.389411  1
  Ni  Ni9  1  0.996271  0.509840  0.341331  1
  Ni  Ni10  1  0.496271  1.009840  0.318347  1
  Ni  Ni11  1  0.496271  1.009840  0.555745  1
  Ni  Ni12  1  0.996271  0.509840  0.532351  1
  Ni  Ni13  1  0.996271  0.509840  0.484295  1
  Ni  Ni14  1  0.496271  1.009840  0.460888  1
  Ni  Ni15  1  0.496271  1.009840  0.698685  1
  Ni  Ni16  1  -0.003729  0.509840  0.675628  1
  Ni  Ni17  1  0.996271  0.509840  0.627297  1
  Ni  Ni18  1  0.496271  1.009840  0.603768  1
