data_TiTcSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.64
_cell_angle_alpha   101.76
_cell_angle_beta   101.76
_cell_angle_gamma   40.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTcSe2
_chemical_formula_sum   'Ti1 Tc1 Se2'
_cell_volume   65.65
_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  0.53  0.0  0.66  1.0
  Tc  Tc2  1  0.85  0.0  0.11  1.0
  Se  Se0  1  0.92  0.0  0.12  1.0
  Se  Se1  1  0.38  0.0  0.42  1.0

data_TiTcSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.64
_cell_length_c   4.73
_cell_angle_alpha   101.76
_cell_angle_beta   110.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTcSe2
_chemical_formula_sum   'Ti1 Tc1 Se2'
_cell_volume   65.65
_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  0.0  0.66  0.53  1.0
  Tc  Tc1  1  0.0  0.11  0.85  1.0
  Se  Se2  1  0.0  0.12  0.92  1.0
  Se  Se3  1  0.0  0.42  0.38  1.0

Ti Tc Se Se