# generated using pymatgen
data_Cr2Ni3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63002839
_cell_length_b   7.23176903
_cell_length_c   5.48996503
_cell_angle_alpha   90.00000000
_cell_angle_beta   91.61490563
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Ni3N4
_chemical_formula_sum   'Cr8 Ni12 N16'
_cell_volume   342.49467300
_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  0.68581200  0.12502500  0.86164100  1
  Cr  Cr1  1  0.31418800  0.12502500  0.63835900  1
  Cr  Cr2  1  0.31418800  0.87497500  0.13835900  1
  Cr  Cr3  1  0.68581200  0.87497500  0.36164100  1
  Cr  Cr4  1  0.18581200  0.62502500  0.86164100  1
  Cr  Cr5  1  0.81418800  0.62502500  0.63835900  1
  Cr  Cr6  1  0.81418800  0.37497500  0.13835900  1
  Cr  Cr7  1  0.18581200  0.37497500  0.36164100  1
  Ni  Ni8  1  0.88509900  0.10743200  0.49357700  1
  Ni  Ni9  1  0.11490100  0.10743200  0.00642300  1
  Ni  Ni10  1  0.11490100  0.89256800  0.50642300  1
  Ni  Ni11  1  0.88509900  0.89256800  0.99357700  1
  Ni  Ni12  1  0.50000000  0.84883600  0.75000000  1
  Ni  Ni13  1  0.50000000  0.15116400  0.25000000  1
  Ni  Ni14  1  0.38509900  0.60743200  0.49357700  1
  Ni  Ni15  1  0.61490100  0.60743200  0.00642300  1
  Ni  Ni16  1  0.61490100  0.39256800  0.50642300  1
  Ni  Ni17  1  0.38509900  0.39256800  0.99357700  1
  Ni  Ni18  1  0.00000000  0.34883600  0.75000000  1
  Ni  Ni19  1  0.00000000  0.65116400  0.25000000  1
  N  N20  1  0.39339700  0.67092900  0.97731500  1
  N  N21  1  0.60660300  0.67092900  0.52268500  1
  N  N22  1  0.60660300  0.32907100  0.02268500  1
  N  N23  1  0.39339700  0.32907100  0.47731500  1
  N  N24  1  0.65804900  0.10070400  0.52673300  1
  N  N25  1  0.34195100  0.10070400  0.97326700  1
  N  N26  1  0.34195100  0.89929600  0.47326700  1
  N  N27  1  0.65804900  0.89929600  0.02673300  1
  N  N28  1  0.89339700  0.17092900  0.97731500  1
  N  N29  1  0.10660300  0.17092900  0.52268500  1
  N  N30  1  0.10660300  0.82907100  0.02268500  1
  N  N31  1  0.89339700  0.82907100  0.47731500  1
  N  N32  1  0.15804900  0.60070400  0.52673300  1
  N  N33  1  0.84195100  0.60070400  0.97326700  1
  N  N34  1  0.84195100  0.39929600  0.47326700  1
  N  N35  1  0.15804900  0.39929600  0.02673300  1
