data_ZrTcNi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   10.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTcNi6
_chemical_formula_sum   'Zr4 Tc4 Ni24'
_cell_volume   402.09
_cell_formula_units_Z   4
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
  Zr  Zr28  1  0.68  0.37  0.0  1.0
  Zr  Zr29  1  0.68  0.63  0.0  1.0
  Zr  Zr30  1  0.0  0.0  0.8  1.0
  Zr  Zr31  1  0.0  0.0  0.64  1.0
  Tc  Tc24  1  0.68  0.32  0.22  1.0
  Tc  Tc25  1  0.68  0.68  0.22  1.0
  Tc  Tc26  1  0.68  0.0  0.8  1.0
  Tc  Tc27  1  0.68  0.0  0.65  1.0
  Ni  Ni0  1  0.68  0.43  0.78  1.0
  Ni  Ni1  1  0.88  0.72  0.1  1.0
  Ni  Ni2  1  0.48  0.28  0.1  1.0
  Ni  Ni3  1  0.68  0.57  0.78  1.0
  Ni  Ni4  1  0.48  0.72  0.1  1.0
  Ni  Ni5  1  0.88  0.28  0.1  1.0
  Ni  Ni6  1  0.0  0.0  0.22  1.0
  Ni  Ni7  1  0.48  0.32  0.49  1.0
  Ni  Ni8  1  0.48  0.68  0.49  1.0
  Ni  Ni9  1  0.68  0.43  0.66  1.0
  Ni  Ni10  1  0.89  0.68  0.96  1.0
  Ni  Ni11  1  0.48  0.32  0.96  1.0
  Ni  Ni12  1  0.68  0.57  0.66  1.0
  Ni  Ni13  1  0.48  0.68  0.96  1.0
  Ni  Ni14  1  0.89  0.32  0.96  1.0
  Ni  Ni15  1  0.0  0.0  0.0  1.0
  Ni  Ni16  1  0.48  0.28  0.35  1.0
  Ni  Ni17  1  0.48  0.72  0.35  1.0
  Ni  Ni18  1  0.68  0.0  0.22  1.0
  Ni  Ni19  1  0.89  0.32  0.49  1.0
  Ni  Ni20  1  0.89  0.68  0.49  1.0
  Ni  Ni21  1  0.68  0.0  0.0  1.0
  Ni  Ni22  1  0.88  0.28  0.35  1.0
  Ni  Ni23  1  0.88  0.72  0.35  1.0

data_ZrTcNi6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   10.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTcNi6
_chemical_formula_sum   'Zr4 Tc4 Ni24'
_cell_volume   402.09
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.0  0.0  0.64  1.0
  Zr  Zr1  1  0.0  0.0  0.8  1.0
  Zr  Zr2  1  0.68  0.37  0.0  1.0
  Zr  Zr3  1  0.68  0.63  0.0  1.0
  Tc  Tc4  1  0.68  0.0  0.65  1.0
  Tc  Tc5  1  0.68  0.0  0.8  1.0
  Tc  Tc6  1  0.68  0.32  0.22  1.0
  Tc  Tc7  1  0.68  0.68  0.22  1.0
  Ni  Ni8  1  0.0  0.0  0.0  1.0
  Ni  Ni9  1  0.0  0.0  0.22  1.0
  Ni  Ni10  1  0.48  0.32  0.49  1.0
  Ni  Ni11  1  0.48  0.32  0.96  1.0
  Ni  Ni12  1  0.48  0.68  0.49  1.0
  Ni  Ni13  1  0.48  0.68  0.96  1.0
  Ni  Ni14  1  0.48  0.28  0.1  1.0
  Ni  Ni15  1  0.48  0.28  0.35  1.0
  Ni  Ni16  1  0.48  0.72  0.1  1.0
  Ni  Ni17  1  0.48  0.72  0.35  1.0
  Ni  Ni18  1  0.68  0.0  0.0  1.0
  Ni  Ni19  1  0.68  0.0  0.22  1.0
  Ni  Ni20  1  0.68  0.43  0.66  1.0
  Ni  Ni21  1  0.68  0.43  0.78  1.0
  Ni  Ni22  1  0.68  0.57  0.66  1.0
  Ni  Ni23  1  0.68  0.57  0.78  1.0
  Ni  Ni24  1  0.88  0.28  0.1  1.0
  Ni  Ni25  1  0.88  0.28  0.35  1.0
  Ni  Ni26  1  0.88  0.72  0.1  1.0
  Ni  Ni27  1  0.88  0.72  0.35  1.0
  Ni  Ni28  1  0.89  0.32  0.49  1.0
  Ni  Ni29  1  0.89  0.32  0.96  1.0
  Ni  Ni30  1  0.89  0.68  0.49  1.0
  Ni  Ni31  1  0.89  0.68  0.96  1.0

Zr Zr Zr Zr Tc Tc Tc Tc Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni
Zr Zr Zr Zr Tc Tc Tc Tc Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni 0 19 o o - 0 10 o o o 0 1 o o o 0 22 o o - 0 13 o o o 0 29 o o o 1 21 o o - 1 18 o o - 1 9 o o o 1 12 o o o 1 29 o + o 2 6 - o o 2 3 o o o 2 23 o o + 4 10 o o o 4 24 o o o 4 13 o o o 4 30 o o o 4 26 o o o 5 12 o o o 5 26 o + o 5 25 o o o 5 9 o o o 5 31 o o o 5 14 + + o 6 7 o o o 6 29 o o + 8 11 o o o 9 18 o o - 9 14 + + o 9 23 + + o 10 19 o o - 12 21 o o - 12 26 o + o 12 29 o + o 13 22 o o - 13 14 + o o 13 23 + o o 13 26 o o o 13 29 o o o 14 31 - - o 14 30 - o o 14 26 - o o 14 23 o o o 15 24 o o o 16 25 o o o 17 20 o o o 18 23 + + + 21 29 o + + 22 23 + o + 22 29 o o + 23 29 - o o 25 26 o + o 26 29 o o o 26 30 o o o 27 30 o o o 28 31 o o o 