# generated using pymatgen
data_CrN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.00917988
_cell_length_b   3.00912261
_cell_length_c   4.88003983
_cell_angle_alpha   72.04154709
_cell_angle_beta   89.99932859
_cell_angle_gamma   120.00154688
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN
_chemical_formula_sum   'Cr2 N2'
_cell_volume   35.76031329
_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  0.50000000  0.00000100  0.50000000  1.0
  Cr  Cr1  1  0.00000400  0.00000200  0.00000000  1.0
  N  N2  1  0.24999800  0.49998700  0.24995500  1.0
  N  N3  1  0.74999900  0.50001000  0.75004500  1.0