# generated using pymatgen
data_Cr3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.94836287
_cell_length_b   5.89242301
_cell_length_c   4.81213296
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3N4
_chemical_formula_sum   'Cr12 N16'
_cell_volume   282.08705264
_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  0.50000000  0.00000000  1
  Cr  Cr1  1  0.50000000  0.00000000  0.50000000  1
  Cr  Cr2  1  0.00000000  0.00000000  0.00000000  1
  Cr  Cr3  1  0.50000000  0.50000000  0.50000000  1
  Cr  Cr4  1  0.01036800  0.75000000  0.26183700  1
  Cr  Cr5  1  0.48963200  0.75000000  0.76183700  1
  Cr  Cr6  1  0.98963200  0.25000000  0.73816300  1
  Cr  Cr7  1  0.51036800  0.25000000  0.23816300  1
  Cr  Cr8  1  0.58553400  0.75000000  0.09121300  1
  Cr  Cr9  1  0.91446600  0.75000000  0.59121300  1
  Cr  Cr10  1  0.41446600  0.25000000  0.90878700  1
  Cr  Cr11  1  0.08553400  0.25000000  0.40878700  1
  N  N12  1  0.22067600  0.75000000  0.08532200  1
  N  N13  1  0.27932400  0.75000000  0.58532200  1
  N  N14  1  0.77932400  0.25000000  0.91467800  1
  N  N15  1  0.72067600  0.25000000  0.41467800  1
  N  N16  1  0.75570100  0.75000000  0.42907400  1
  N  N17  1  0.74429900  0.75000000  0.92907400  1
  N  N18  1  0.24429900  0.25000000  0.57092600  1
  N  N19  1  0.25570100  0.25000000  0.07092600  1
  N  N20  1  0.74964500  0.51416100  0.16718200  1
  N  N21  1  0.75035500  0.98583900  0.66718200  1
  N  N22  1  0.25035500  0.01416100  0.83281800  1
  N  N23  1  0.24964500  0.48583900  0.33281800  1
  N  N24  1  0.25035500  0.48583900  0.83281800  1
  N  N25  1  0.24964500  0.01416100  0.33281800  1
  N  N26  1  0.74964500  0.98583900  0.16718200  1
  N  N27  1  0.75035500  0.51416100  0.66718200  1
