data_Tc2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   147.27
_cell_angle_beta   130.04
_cell_angle_gamma   61.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2Ni
_chemical_formula_sum   'Tc2 Ni1'
_cell_volume   40.22
_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
  Tc  Tc1  1  0.0  0.0  0.27  1.0
  Tc  Tc2  1  0.0  0.0  0.67  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0

data_Tc2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   3.89
_cell_length_c   4.61
_cell_angle_alpha   114.98
_cell_angle_beta   106.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2Ni
_chemical_formula_sum   'Tc2 Ni1'
_cell_volume   40.22
_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
  Tc  Tc0  1  0.33  0.33  0.33  1.0
  Tc  Tc1  1  0.73  0.73  0.73  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

Tc Tc Ni
Tc Tc Ni 0 2 o o o 1 2 o o + 