data_Ti4CrC5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.47
_cell_length_b   12.47
_cell_length_c   12.47
_cell_angle_alpha   13.93
_cell_angle_beta   13.93
_cell_angle_gamma   13.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4CrC5
_chemical_formula_sum   'Ti4 Cr1 C5'
_cell_volume   97.78
_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  0.78  1.0
  Ti  Ti1  1  0.0  0.0  0.94  1.0
  Ti  Ti2  1  0.0  0.0  0.09  1.0
  Ti  Ti3  1  0.0  0.0  0.25  1.0
  Cr  Cr4  1  0.0  0.0  0.52  1.0
  C  C5  1  0.0  0.0  0.16  1.0
  C  C6  1  0.0  0.0  0.87  1.0
  C  C7  1  0.0  0.0  0.0  1.0
  C  C8  1  0.0  0.0  0.29  1.0
  C  C9  1  0.0  0.0  0.74  1.0

data_Ti4CrC5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.24
_cell_length_b   3.02
_cell_length_c   12.47
_cell_angle_alpha   90.0
_cell_angle_beta   98.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti4CrC5
_chemical_formula_sum   'Ti8 Cr2 C10'
_cell_volume   195.55
_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  0.91  1.0
  Ti  Ti1  2  -0.0  0.0  0.22  1.0
  Ti  Ti2  2  -0.0  0.0  0.75  1.0
  Ti  Ti3  2  -0.0  0.0  0.06  1.0
  Cr  Cr4  2  -0.0  0.0  0.48  1.0
  C  C5  2  -0.0  0.0  0.84  1.0
  C  C6  2  -0.0  0.0  0.26  1.0
  C  C7  2  -0.0  0.0  0.71  1.0
  C  C8  2  -0.0  0.0  0.13  1.0
  C  C9  2  -0.0  0.0  0.0  1.0

Ti Ti Ti Ti Cr C C C C C