# generated using pymatgen
data_Cr3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80285285
_cell_length_b   6.80285285
_cell_length_c   6.80285285
_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   314.82791341
_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  0.87500000  0.50000000  0.75000000  1
  Cr  Cr1  1  0.12500000  0.00000000  0.75000000  1
  Cr  Cr2  1  0.00000000  0.75000000  0.12500000  1
  Cr  Cr3  1  0.00000000  0.25000000  0.37500000  1
  Cr  Cr4  1  0.75000000  0.12500000  0.00000000  1
  Cr  Cr5  1  0.25000000  0.37500000  0.00000000  1
  Cr  Cr6  1  0.37500000  0.00000000  0.25000000  1
  Cr  Cr7  1  0.62500000  0.50000000  0.25000000  1
  Cr  Cr8  1  0.50000000  0.25000000  0.62500000  1
  Cr  Cr9  1  0.50000000  0.75000000  0.87500000  1
  Cr  Cr10  1  0.25000000  0.62500000  0.50000000  1
  Cr  Cr11  1  0.75000000  0.87500000  0.50000000  1
  N  N12  1  0.28090900  0.21909100  0.78090900  1
  N  N13  1  0.28090900  0.78090900  0.71909100  1
  N  N14  1  0.21909100  0.21909100  0.21909100  1
  N  N15  1  0.21909100  0.78090900  0.28090900  1
  N  N16  1  0.03090900  0.53090900  0.96909100  1
  N  N17  1  0.53090900  0.96909100  0.03090900  1
  N  N18  1  0.96909100  0.96909100  0.96909100  1
  N  N19  1  0.96909100  0.03090900  0.53090900  1
  N  N20  1  0.78090900  0.71909100  0.28090900  1
  N  N21  1  0.78090900  0.28090900  0.21909100  1
  N  N22  1  0.71909100  0.71909100  0.71909100  1
  N  N23  1  0.71909100  0.28090900  0.78090900  1
  N  N24  1  0.53090900  0.03090900  0.46909100  1
  N  N25  1  0.03090900  0.46909100  0.53090900  1
  N  N26  1  0.46909100  0.46909100  0.46909100  1
  N  N27  1  0.46909100  0.53090900  0.03090900  1
