data_Cr2NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   2.7
_cell_length_c   12.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2NiN2
_chemical_formula_sum   'Cr8 Ni4 N8'
_cell_volume   188.39
_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  0.33  0.68  0.8  1.0
  Cr  Cr1  1  0.6  0.68  0.36  1.0
  Cr  Cr2  1  0.12  0.03  0.97  1.0
  Cr  Cr3  1  0.85  0.03  0.41  1.0
  Cr  Cr4  1  0.87  0.68  0.89  1.0
  Cr  Cr5  1  0.6  0.68  0.27  1.0
  Cr  Cr6  1  0.58  0.03  0.88  1.0
  Cr  Cr7  1  0.85  0.03  0.5  1.0
  Ni  Ni8  1  0.35  0.68  0.43  1.0
  Ni  Ni9  1  0.62  0.68  0.96  1.0
  Ni  Ni10  1  0.11  0.03  0.35  1.0
  Ni  Ni11  1  0.83  0.03  0.81  1.0
  N  N12  1  0.39  0.68  0.33  1.0
  N  N13  1  0.67  0.68  0.06  1.0
  N  N14  1  0.06  0.03  0.45  1.0
  N  N15  1  0.79  0.03  0.71  1.0
  N  N16  1  0.42  0.68  0.61  1.0
  N  N17  1  0.69  0.68  0.78  1.0
  N  N18  1  0.03  0.03  0.16  1.0
  N  N19  1  0.76  0.03  0.0  1.0

data_Cr2NiN2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.7
_cell_length_b   5.45
_cell_length_c   12.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cr2NiN2
_chemical_formula_sum   'Cr8 Ni4 N8'
_cell_volume   188.39
_cell_formula_units_Z   4
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  0.18  0.12  0.53  1.0
  Cr  Cr1  2  0.18  0.13  0.62  1.0
  Cr  Cr2  2  0.18  0.4  0.09  1.0
  Cr  Cr3  2  0.18  0.85  1.0  1.0
  Ni  Ni4  2  0.18  0.11  0.93  1.0
  Ni  Ni5  2  0.18  0.38  0.46  1.0
  N  N6  2  0.18  0.03  0.11  1.0
  N  N7  2  0.18  0.06  0.83  1.0
  N  N8  2  0.18  0.31  0.28  1.0
  N  N9  2  0.18  0.33  0.56  1.0

Cr Cr Cr Cr Cr Cr Cr Cr Ni Ni Ni Ni N N N N N N N N