# generated using pymatgen
data_CrNiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76394226
_cell_length_b   4.76376110
_cell_length_c   10.04943268
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiN2
_chemical_formula_sum   'Cr4 Ni4 N8'
_cell_volume   132.31847447
_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  0.00000000  0.34545400  0.25000000  1
  Cr  Cr1  1  0.00000000  0.65454600  0.75000000  1
  Cr  Cr2  1  0.50000000  0.84545400  0.25000000  1
  Cr  Cr3  1  0.50000000  0.15454600  0.75000000  1
  Ni  Ni4  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni5  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni6  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni7  1  0.50000000  0.50000000  0.50000000  1
  N  N8  1  0.00000000  0.67937800  0.13111800  1
  N  N9  1  0.00000000  0.32062200  0.86888200  1
  N  N10  1  0.00000000  0.32062200  0.63111800  1
  N  N11  1  0.00000000  0.67937800  0.36888200  1
  N  N12  1  0.50000000  0.17937800  0.13111800  1
  N  N13  1  0.50000000  0.82062200  0.86888200  1
  N  N14  1  0.50000000  0.82062200  0.63111800  1
  N  N15  1  0.50000000  0.17937800  0.36888200  1
