data_TaTi2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   145.63
_cell_angle_beta   129.22
_cell_angle_gamma   62.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTi2Tc
_chemical_formula_sum   'Ta1 Ti2 Tc1'
_cell_volume   65.57
_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  0.55  1.0
  Ti  Ti2  1  0.0  0.29  0.45  1.0
  Ti  Ti3  1  0.58  0.0  0.1  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0

data_TaTi2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.57
_cell_length_c   5.33
_cell_angle_alpha   115.39
_cell_angle_beta   107.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTi2Tc
_chemical_formula_sum   'Ta1 Ti2 Tc1'
_cell_volume   65.57
_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  0.45  0.45  0.45  1.0
  Ti  Ti1  1  0.47  0.9  0.47  1.0
  Ti  Ti2  1  0.55  0.84  0.84  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

Ta Ti Ti Tc