data_Cr3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3N
_chemical_formula_sum   'Cr6 N2'
_cell_volume   78.08
_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  0.0  0.32  0.24  1.0
  Cr  Cr1  1  0.14  0.29  0.24  1.0
  Cr  Cr2  1  0.86  0.29  0.24  1.0
  Cr  Cr3  1  0.28  0.63  0.08  1.0
  Cr  Cr4  1  0.15  0.66  0.08  1.0
  Cr  Cr5  1  0.42  0.66  0.08  1.0
  N  N6  1  0.0  0.64  0.08  1.0
  N  N7  1  0.28  0.32  0.24  1.0

data_Cr3N
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.32
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cr3N
_chemical_formula_sum   'Cr6 N2'
_cell_volume   78.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.08  0.72  0.82  1.0
  Cr  Cr1  2  0.08  0.86  0.85  1.0
  Cr  Cr2  2  0.08  1.0  0.82  1.0
  N  N3  2  0.08  0.14  0.84  1.0

Cr Cr Cr Cr Cr Cr N N
Cr Cr Cr Cr Cr Cr N N 0 2 - o o 0 1 o o o 1 7 o o o 3 5 o o o 3 4 o o o 4 6 o o o 