# generated using pymatgen
data_Cr3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35038600
_cell_length_b   2.82246584
_cell_length_c   9.62831776
_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   254.10233084
_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  0.25000000  0.91920300  0.11960800  1
  Cr  Cr1  1  0.25000000  0.41920300  0.38039200  1
  Cr  Cr2  1  0.75000000  0.08079700  0.88039200  1
  Cr  Cr3  1  0.75000000  0.58079700  0.61960800  1
  Cr  Cr4  1  0.25000000  0.90148100  0.59959300  1
  Cr  Cr5  1  0.25000000  0.40148100  0.90040700  1
  Cr  Cr6  1  0.75000000  0.09851900  0.40040700  1
  Cr  Cr7  1  0.75000000  0.59851900  0.09959300  1
  Cr  Cr8  1  0.25000000  0.79703100  0.85956200  1
  Cr  Cr9  1  0.25000000  0.29703100  0.64043800  1
  Cr  Cr10  1  0.75000000  0.20296900  0.14043800  1
  Cr  Cr11  1  0.75000000  0.70296900  0.35956200  1
  N  N12  1  0.25000000  0.73690500  0.20660800  1
  N  N13  1  0.25000000  0.23690500  0.29339200  1
  N  N14  1  0.75000000  0.26309500  0.79339200  1
  N  N15  1  0.75000000  0.76309500  0.70660800  1
  N  N16  1  0.25000000  0.63037300  0.47970900  1
  N  N17  1  0.25000000  0.13037300  0.02029100  1
  N  N18  1  0.75000000  0.36962700  0.52029100  1
  N  N19  1  0.75000000  0.86962700  0.97970900  1
  N  N20  1  0.25000000  0.49319800  0.72688900  1
  N  N21  1  0.25000000  0.99319800  0.77311100  1
  N  N22  1  0.75000000  0.50680200  0.27311100  1
  N  N23  1  0.75000000  0.00680200  0.22688900  1
  N  N24  1  0.25000000  0.10584000  0.53435800  1
  N  N25  1  0.25000000  0.60584000  0.96564200  1
  N  N26  1  0.75000000  0.89416000  0.46564200  1
  N  N27  1  0.75000000  0.39416000  0.03435800  1
