# generated using pymatgen
data_Cr3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07060473
_cell_length_b   8.07060473
_cell_length_c   3.12022702
_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   176.00661083
_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  0.59597700  0.81825400  0.75000000  1
  Cr  Cr1  1  0.22227700  0.40402300  0.75000000  1
  Cr  Cr2  1  0.18174600  0.77772300  0.75000000  1
  Cr  Cr3  1  0.40402300  0.18174600  0.25000000  1
  Cr  Cr4  1  0.77772300  0.59597700  0.25000000  1
  Cr  Cr5  1  0.81825400  0.22227700  0.25000000  1
  N  N6  1  0.33333300  0.66666700  0.75000000  1
  N  N7  1  0.66666700  0.33333300  0.25000000  1
  N  N8  1  0.70633700  0.66869100  0.75000000  1
  N  N9  1  0.96235400  0.29366300  0.75000000  1
  N  N10  1  0.33130900  0.03764600  0.75000000  1
  N  N11  1  0.29366300  0.33130900  0.25000000  1
  N  N12  1  0.03764600  0.70633700  0.25000000  1
  N  N13  1  0.66869100  0.96235400  0.25000000  1
