data_Ti3Tc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.19
_cell_length_b   10.19
_cell_length_c   10.19
_cell_angle_alpha   17.06
_cell_angle_beta   17.06
_cell_angle_gamma   17.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Tc2
_chemical_formula_sum   'Ti3 Tc2'
_cell_volume   79.44
_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  Ti2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.0  0.18  1.0
  Ti  Ti4  1  0.0  0.0  0.94  1.0
  Tc  Tc0  1  0.0  0.0  0.01  1.0
  Tc  Tc1  1  0.0  0.0  0.11  1.0

data_Ti3Tc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.24
_cell_length_b   3.02
_cell_length_c   10.19
_cell_angle_alpha   90.0
_cell_angle_beta   99.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti3Tc2
_chemical_formula_sum   'Ti6 Tc4'
_cell_volume   158.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ti  Ti1  2  0.0  0.0  0.06  1.0
  Ti  Ti2  2  0.0  0.0  0.82  1.0
  Tc  Tc3  2  0.0  0.0  0.89  1.0
  Tc  Tc4  2  0.0  0.0  0.99  1.0

Ti Ti Ti Tc Tc