data_Ti2MnTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   145.7
_cell_angle_beta   131.92
_cell_angle_gamma   60.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnTc
_chemical_formula_sum   'Ti2 Mn1 Tc1'
_cell_volume   57.04
_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  0.4  1.0
  Ti  Ti3  1  0.0  0.1  0.32  1.0
  Mn  Mn0  1  0.0  0.0  0.06  1.0
  Tc  Tc1  1  0.52  0.0  0.14  1.0

data_Ti2MnTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.2
_cell_length_c   5.16
_cell_angle_alpha   114.04
_cell_angle_beta   107.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnTc
_chemical_formula_sum   'Ti2 Mn1 Tc1'
_cell_volume   57.04
_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  0.6  0.6  0.6  1.0
  Ti  Ti1  1  0.68  0.79  0.79  1.0
  Mn  Mn2  1  0.94  0.94  0.94  1.0
  Tc  Tc3  1  0.38  0.86  0.38  1.0

Ti Ti Mn Tc