data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   6.97
_cell_angle_alpha   106.96
_cell_angle_beta   106.96
_cell_angle_gamma   98.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr4 N8'
_cell_volume   205.8
_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  0.5  0.98  0.84  1.0
  Cr  Cr1  1  0.91  0.98  0.39  1.0
  Cr  Cr2  1  0.38  0.41  0.27  1.0
  Cr  Cr3  1  0.03  0.41  0.96  1.0
  N  N4  1  0.2  0.46  0.12  1.0
  N  N5  1  0.76  0.88  0.0  1.0
  N  N6  1  0.13  0.38  0.82  1.0
  N  N7  1  0.27  0.38  0.42  1.0
  N  N8  1  0.8  0.52  0.04  1.0
  N  N9  1  0.6  0.52  0.19  1.0
  N  N10  1  0.47  0.3  0.46  1.0
  N  N11  1  0.94  0.3  0.77  1.0

data_CrN2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   6.97
_cell_angle_alpha   106.96
_cell_angle_beta   106.96
_cell_angle_gamma   98.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr4 N8'
_cell_volume   205.8
_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  0.03  0.41  0.96  1.0
  Cr  Cr1  1  0.38  0.41  0.27  1.0
  Cr  Cr2  1  0.5  0.98  0.84  1.0
  Cr  Cr3  1  0.91  0.98  0.39  1.0
  N  N4  1  0.13  0.38  0.82  1.0
  N  N5  1  0.2  0.46  0.12  1.0
  N  N6  1  0.27  0.38  0.42  1.0
  N  N7  1  0.47  0.3  0.46  1.0
  N  N8  1  0.6  0.52  0.19  1.0
  N  N9  1  0.76  0.88  0.0  1.0
  N  N10  1  0.8  0.52  0.04  1.0
  N  N11  1  0.94  0.3  0.77  1.0

Cr Cr Cr Cr N N N N N N N N