data_TiTc2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.62
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   100.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTc2Cl
_chemical_formula_sum   'Ti1 Tc2 Cl1'
_cell_volume   73.68
_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  Ti3  1  0.72  0.81  0.08  1.0
  Tc  Tc1  1  0.69  0.81  0.71  1.0
  Tc  Tc2  1  0.24  0.0  0.75  1.0
  Cl  Cl0  1  0.25  0.0  0.41  1.0

data_TiTc2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.62
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   100.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTc2Cl
_chemical_formula_sum   'Ti1 Tc2 Cl1'
_cell_volume   73.68
_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  0.72  0.81  0.08  1.0
  Tc  Tc1  1  0.24  0.0  0.75  1.0
  Tc  Tc2  1  0.69  0.81  0.71  1.0
  Cl  Cl3  1  0.25  0.0  0.41  1.0

Ti Tc Tc Cl