# generated using pymatgen
data_Cr3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65658984
_cell_length_b   7.65658984
_cell_length_c   2.73714385
_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   'Cr6 N8'
_cell_volume   138.96294822
_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  0.33125300  0.47179300  0.25000000  1
  Cr  Cr1  1  0.52820700  0.85946000  0.25000000  1
  Cr  Cr2  1  0.14054000  0.66874700  0.25000000  1
  Cr  Cr3  1  0.66874700  0.52820700  0.75000000  1
  Cr  Cr4  1  0.47179300  0.14054000  0.75000000  1
  Cr  Cr5  1  0.85946000  0.33125300  0.75000000  1
  N  N6  1  0.04587600  0.35999900  0.25000000  1
  N  N7  1  0.64000100  0.68587700  0.25000000  1
  N  N8  1  0.31412300  0.95412400  0.25000000  1
  N  N9  1  0.95412400  0.64000100  0.75000000  1
  N  N10  1  0.35999900  0.31412300  0.75000000  1
  N  N11  1  0.68587700  0.04587600  0.75000000  1
  N  N12  1  0.66666700  0.33333300  0.25000000  1
  N  N13  1  0.33333300  0.66666700  0.75000000  1
