data_Ta2TiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   3.03
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   117.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiC
_chemical_formula_sum   'Ta2 Ti1 C1'
_cell_volume   57.98
_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  0.43  0.52  0.55  1.0
  Ta  Ta2  1  0.08  0.0  0.08  1.0
  Ti  Ti3  1  0.31  0.52  0.65  1.0
  C  C0  1  0.37  0.0  0.07  1.0

data_Ta2TiC
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.58
_cell_length_b   3.03
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   117.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ta2TiC
_chemical_formula_sum   'Ta2 Ti1 C1'
_cell_volume   57.98
_cell_formula_units_Z   1
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
  Ta  Ta0  1  0.08  0.0  0.08  1.0
  Ta  Ta1  1  0.43  0.5  0.55  1.0
  Ti  Ti2  1  0.31  0.5  0.65  1.0
  C  C3  1  0.37  0.0  0.07  1.0

Ta Ta Ti C
Ta Ta Ti C 0 2 o o o 1 3 o o o 