# generated using pymatgen
data_CrNiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76394200
_cell_length_b   2.75376124
_cell_length_c   10.04943300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.12237263
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiN2
_chemical_formula_sum   'Cr2 Ni2 N4'
_cell_volume   66.15924562
_cell_formula_units_Z   2
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  0.34545400  0.69090700  0.25000000  1.0
  Cr  Cr1  1  0.65454600  0.30909300  0.75000000  1.0
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni3  1  0.00000000  0.00000000  0.50000000  1.0
  N  N4  1  0.67937700  0.35875500  0.13111800  1.0
  N  N5  1  0.32062300  0.64124500  0.86888200  1.0
  N  N6  1  0.32062300  0.64124500  0.63111800  1.0
  N  N7  1  0.67937700  0.35875500  0.36888200  1.0