data_Ti2TcNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   143.32
_cell_angle_beta   131.92
_cell_angle_gamma   61.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TcNi
_chemical_formula_sum   'Ti2 Tc1 Ni1'
_cell_volume   57.7
_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  0.63  1.0
  Ti  Ti3  1  0.6  0.0  0.21  1.0
  Tc  Tc1  1  0.0  0.07  0.22  1.0
  Ni  Ni0  1  0.0  0.0  0.37  1.0

data_Ti2TcNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.14
_cell_length_c   5.08
_cell_angle_alpha   114.04
_cell_angle_beta   108.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TcNi
_chemical_formula_sum   'Ti2 Tc1 Ni1'
_cell_volume   57.7
_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  0.37  0.37  0.37  1.0
  Ti  Ti1  1  0.39  0.79  0.39  1.0
  Tc  Tc2  1  0.78  0.85  0.85  1.0
  Ni  Ni3  1  0.63  0.63  0.63  1.0

Ti Ti Tc Ni
Ti Ti Tc Ni 0 3 o o o 0 1 - o o 1 3 + o o 2 3 o o o 