# generated using pymatgen
data_CrNi2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68565392
_cell_length_b   5.09140874
_cell_length_c   5.31227457
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2N3
_chemical_formula_sum   'Cr4 Ni8 N12'
_cell_volume   234.92054435
_cell_formula_units_Z   4
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  Cr0  1  0.16499000  0.50000000  0.95481600  1
  Cr  Cr1  1  0.83501000  0.50000000  0.45481600  1
  Cr  Cr2  1  0.66499000  0.00000000  0.95481600  1
  Cr  Cr3  1  0.33501000  0.00000000  0.45481600  1
  Ni  Ni4  1  0.68419900  0.64759300  0.02480600  1
  Ni  Ni5  1  0.68419900  0.35240700  0.02480600  1
  Ni  Ni6  1  0.31580100  0.35240700  0.52480600  1
  Ni  Ni7  1  0.31580100  0.64759300  0.52480600  1
  Ni  Ni8  1  0.18419900  0.14759300  0.02480600  1
  Ni  Ni9  1  0.18419900  0.85240700  0.02480600  1
  Ni  Ni10  1  0.81580100  0.85240700  0.52480600  1
  Ni  Ni11  1  0.81580100  0.14759300  0.52480600  1
  N  N12  1  0.15808900  0.17125500  0.38167100  1
  N  N13  1  0.15808900  0.82874500  0.38167100  1
  N  N14  1  0.84191100  0.82874500  0.88167100  1
  N  N15  1  0.84191100  0.17125500  0.88167100  1
  N  N16  1  0.16094400  0.50000000  0.30423200  1
  N  N17  1  0.83905600  0.50000000  0.80423200  1
  N  N18  1  0.65808900  0.67125500  0.38167100  1
  N  N19  1  0.65808900  0.32874500  0.38167100  1
  N  N20  1  0.34191100  0.32874500  0.88167100  1
  N  N21  1  0.34191100  0.67125500  0.88167100  1
  N  N22  1  0.66094400  0.00000000  0.30423200  1
  N  N23  1  0.33905600  0.00000000  0.80423200  1
