data_TiTcNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   2.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTcNi
_chemical_formula_sum   'Ti1 Tc1 Ni1'
_cell_volume   41.62
_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  0.86  1.0
  Tc  Tc1  1  0.15  0.24  0.93  1.0
  Ni  Ni0  1  1.0  0.48  0.4  1.0

data_TiTcNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   4.3
_cell_length_c   4.3
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTcNi
_chemical_formula_sum   'Ti1 Tc1 Ni1'
_cell_volume   41.62
_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  0.86  0.0  0.0  1.0
  Tc  Tc1  1  0.93  0.15  0.24  1.0
  Ni  Ni2  1  0.4  1.0  0.48  1.0

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