# generated using pymatgen
data_CrN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98127816
_cell_length_b   4.97369009
_cell_length_c   5.09671658
_cell_angle_alpha   97.67378142
_cell_angle_beta   107.00339936
_cell_angle_gamma   89.99976868
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN
_chemical_formula_sum   'Cr4 N4'
_cell_volume   71.56231406
_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  0.74876300  0.26168200  0.49762300  1.0
  Cr  Cr1  1  0.00123100  0.98831800  0.00236300  1.0
  Cr  Cr2  1  0.50123600  0.48838200  0.00238400  1.0
  Cr  Cr3  1  0.24876100  0.76163500  0.49761400  1.0
  N  N4  1  0.37500300  0.12499900  0.75000500  1.0
  N  N5  1  0.12502300  0.37496600  0.25003900  1.0
  N  N6  1  0.87499800  0.62499400  0.74999500  1.0
  N  N7  1  0.62498600  0.87502400  0.24997700  1.0