# generated using pymatgen
data_Cr3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67186724
_cell_length_b   7.67186724
_cell_length_c   6.65543850
_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   339.24188216
_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  0.46394000  0.09994200  0.26994700  1
  Cr  Cr1  1  0.63600200  0.53606000  0.26994700  1
  Cr  Cr2  1  0.90005800  0.36399800  0.26994700  1
  Cr  Cr3  1  0.36399800  0.90005800  0.76994700  1
  Cr  Cr4  1  0.09994200  0.46394000  0.76994700  1
  Cr  Cr5  1  0.53606000  0.63600200  0.76994700  1
  Cr  Cr6  1  0.19645700  0.24144900  0.51506000  1
  Cr  Cr7  1  0.04499200  0.80354300  0.51506000  1
  Cr  Cr8  1  0.75855100  0.95500800  0.51506000  1
  Cr  Cr9  1  0.95500800  0.75855100  0.01506000  1
  Cr  Cr10  1  0.24144900  0.19645700  0.01506000  1
  Cr  Cr11  1  0.80354300  0.04499200  0.01506000  1
  N  N12  1  0.00000000  0.00000000  0.36314700  1
  N  N13  1  0.00000000  0.00000000  0.86314700  1
  N  N14  1  0.00000000  0.00000000  0.66907100  1
  N  N15  1  0.00000000  0.00000000  0.16907100  1
  N  N16  1  0.32270900  0.95449100  0.50226200  1
  N  N17  1  0.63178200  0.67729100  0.50226200  1
  N  N18  1  0.04550900  0.36821800  0.50226200  1
  N  N19  1  0.36821800  0.04550900  0.00226200  1
  N  N20  1  0.95449100  0.32270900  0.00226200  1
  N  N21  1  0.67729100  0.63178200  0.00226200  1
  N  N22  1  0.38334000  0.30341700  0.28532500  1
  N  N23  1  0.92007700  0.61666000  0.28532500  1
  N  N24  1  0.69658300  0.07992300  0.28532500  1
  N  N25  1  0.07992300  0.69658300  0.78532500  1
  N  N26  1  0.30341700  0.38334000  0.78532500  1
  N  N27  1  0.61666000  0.92007700  0.78532500  1
