data_Ti2VC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   148.63
_cell_angle_beta   136.07
_cell_angle_gamma   54.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2VC
_chemical_formula_sum   'Ti2 V1 C1'
_cell_volume   53.1
_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  Ti1  1  0.0  0.98  0.14  1.0
  Ti  Ti2  1  0.43  0.0  0.56  1.0
  V  V3  1  0.0  0.0  0.69  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_Ti2VC
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.96
_cell_length_c   5.29
_cell_angle_alpha   111.97
_cell_angle_beta   105.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2VC
_chemical_formula_sum   'Ti2 V1 C1'
_cell_volume   53.1
_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  0.56  0.13  1.0
  Ti  Ti1  1  0.02  0.16  0.16  1.0
  V  V2  1  0.0  0.69  0.69  1.0
  C  C3  1  0.0  0.0  0.0  1.0

Ti Ti V C
Ti Ti V C 0 3 o + o 0 1 o + o 2 3 o o + 