data_TaTi2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTi2C
_chemical_formula_sum   'Ta1 Ti2 C1'
_cell_volume   57.01
_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
  Ta  Ta1  1  0.0  0.0  0.78  1.0
  Ti  Ti2  1  0.6  0.0  0.18  1.0
  Ti  Ti3  1  0.6  0.0  0.38  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_TaTi2C
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTi2C
_chemical_formula_sum   'Ta1 Ti2 C1'
_cell_volume   57.01
_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
  Ta  Ta0  1  0.0  0.0  0.78  1.0
  Ti  Ti1  1  0.6  0.0  0.18  1.0
  Ti  Ti2  1  0.6  0.0  0.38  1.0
  C  C3  1  0.0  0.0  0.0  1.0

Ta Ti Ti C