# generated using pymatgen
data_Cr3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18294095
_cell_length_b   8.18294095
_cell_length_c   6.03048207
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3N4
_chemical_formula_sum   'Cr12 N16'
_cell_volume   349.70472210
_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  0.56798500  0.08180800  0.79289800  1
  Cr  Cr1  1  0.51382300  0.43201500  0.79289800  1
  Cr  Cr2  1  0.91819200  0.48617700  0.79289800  1
  Cr  Cr3  1  0.43201500  0.51382300  0.29289800  1
  Cr  Cr4  1  0.48617700  0.91819200  0.29289800  1
  Cr  Cr5  1  0.08180800  0.56798500  0.29289800  1
  Cr  Cr6  1  0.08652500  0.25405600  0.02271000  1
  Cr  Cr7  1  0.16753100  0.91347500  0.02271000  1
  Cr  Cr8  1  0.74594400  0.83246900  0.02271000  1
  Cr  Cr9  1  0.91347500  0.16753100  0.52271000  1
  Cr  Cr10  1  0.83246900  0.74594400  0.52271000  1
  Cr  Cr11  1  0.25405600  0.08652500  0.52271000  1
  N  N12  1  0.04511600  0.65292300  0.02471300  1
  N  N13  1  0.60780700  0.95488400  0.02471300  1
  N  N14  1  0.34707700  0.39219300  0.02471300  1
  N  N15  1  0.95488400  0.60780700  0.52471300  1
  N  N16  1  0.39219300  0.34707700  0.52471300  1
  N  N17  1  0.65292300  0.04511600  0.52471300  1
  N  N18  1  0.00204700  0.31540900  0.77203600  1
  N  N19  1  0.31336200  0.99795300  0.77203600  1
  N  N20  1  0.68459100  0.68663800  0.77203600  1
  N  N21  1  0.99795300  0.31336200  0.27203600  1
  N  N22  1  0.68663800  0.68459100  0.27203600  1
  N  N23  1  0.31540900  0.00204700  0.27203600  1
  N  N24  1  0.00000000  0.00000000  0.02056500  1
  N  N25  1  0.00000000  0.00000000  0.52056500  1
  N  N26  1  0.33333300  0.66666700  0.35731400  1
  N  N27  1  0.66666700  0.33333300  0.85731400  1
