data_TiCrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   34.76
_cell_angle_beta   34.76
_cell_angle_gamma   34.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrN2
_chemical_formula_sum   'Ti1 Cr1 N2'
_cell_volume   36.94
_cell_formula_units_Z   1
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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.08  1.0
  N  N2  1  0.0  0.0  0.65  1.0
  N  N3  1  0.0  0.0  0.51  1.0

data_TiCrN2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.21
_cell_length_b   3.01
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   110.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiCrN2
_chemical_formula_sum   'Ti2 Cr2 N4'
_cell_volume   73.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ti  Ti0  2  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.0  0.0  0.92  1.0
  N  N2  2  -0.0  0.0  0.35  1.0
  N  N3  2  -0.0  0.0  0.49  1.0

Ti Cr N N
Ti Cr N N 0 1 o o o 2 3 o o o 