# generated using pymatgen
data_NbCrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44150200
_cell_length_b   3.44150200
_cell_length_c   9.56080300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrN3
_chemical_formula_sum   'Nb2 Cr2 N6'
_cell_volume   113.23753899
_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
  Nb  Nb0  1  0.00000000  0.50000000  0.62100700  1.0
  Nb  Nb1  1  0.50000000  0.00000000  0.37899300  1.0
  Cr  Cr2  1  0.00000000  0.50000000  0.08774500  1.0
  Cr  Cr3  1  0.50000000  0.00000000  0.91225500  1.0
  N  N4  1  0.00000000  0.50000000  0.27002700  1.0
  N  N5  1  0.50000000  0.00000000  0.72997300  1.0
  N  N6  1  0.50000000  0.50000000  0.00000000  1.0
  N  N7  1  0.00000000  0.00000000  0.00000000  1.0
  N  N8  1  0.00000000  0.00000000  0.50000000  1.0
  N  N9  1  0.50000000  0.50000000  0.50000000  1.0