data_GaNi6Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   10.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi6Sn
_chemical_formula_sum   'Ga4 Ni24 Sn4'
_cell_volume   389.67
_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
  Ga  Ga0  1  0.64  0.44  0.0  1.0
  Ga  Ga1  1  0.64  0.56  0.0  1.0
  Ga  Ga2  1  0.0  0.0  0.8  1.0
  Ga  Ga3  1  0.0  0.0  0.55  1.0
  Ni  Ni4  1  0.64  0.38  0.83  1.0
  Ni  Ni5  1  0.78  0.69  0.1  1.0
  Ni  Ni6  1  0.5  0.31  0.1  1.0
  Ni  Ni7  1  0.64  0.62  0.83  1.0
  Ni  Ni8  1  0.5  0.69  0.1  1.0
  Ni  Ni9  1  0.78  0.31  0.1  1.0
  Ni  Ni10  1  0.0  0.0  0.17  1.0
  Ni  Ni11  1  0.51  0.27  0.51  1.0
  Ni  Ni12  1  0.51  0.73  0.51  1.0
  Ni  Ni13  1  0.64  0.38  0.52  1.0
  Ni  Ni14  1  0.78  0.73  0.84  1.0
  Ni  Ni15  1  0.51  0.27  0.84  1.0
  Ni  Ni16  1  0.64  0.62  0.52  1.0
  Ni  Ni17  1  0.51  0.73  0.84  1.0
  Ni  Ni18  1  0.78  0.27  0.84  1.0
  Ni  Ni19  1  0.0  0.0  0.0  1.0
  Ni  Ni20  1  0.5  0.31  0.25  1.0
  Ni  Ni21  1  0.5  0.69  0.25  1.0
  Ni  Ni22  1  0.64  0.0  0.17  1.0
  Ni  Ni23  1  0.78  0.27  0.51  1.0
  Ni  Ni24  1  0.78  0.73  0.51  1.0
  Ni  Ni25  1  0.64  0.0  0.0  1.0
  Ni  Ni26  1  0.78  0.31  0.25  1.0
  Ni  Ni27  1  0.78  0.69  0.25  1.0
  Sn  Sn28  1  0.64  0.44  0.17  1.0
  Sn  Sn29  1  0.64  0.56  0.17  1.0
  Sn  Sn30  1  0.64  0.0  0.79  1.0
  Sn  Sn31  1  0.64  0.0  0.55  1.0

data_GaNi6Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   10.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi6Sn
_chemical_formula_sum   'Ga4 Ni24 Sn4'
_cell_volume   389.67
_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
  Ga  Ga0  1  0.0  0.0  0.55  1.0
  Ga  Ga1  1  0.0  0.0  0.8  1.0
  Ga  Ga2  1  0.64  0.44  0.0  1.0
  Ga  Ga3  1  0.64  0.56  0.0  1.0
  Ni  Ni4  1  0.0  0.0  0.0  1.0
  Ni  Ni5  1  0.0  0.0  0.17  1.0
  Ni  Ni6  1  0.5  0.31  0.1  1.0
  Ni  Ni7  1  0.5  0.31  0.25  1.0
  Ni  Ni8  1  0.5  0.69  0.1  1.0
  Ni  Ni9  1  0.5  0.69  0.25  1.0
  Ni  Ni10  1  0.51  0.27  0.51  1.0
  Ni  Ni11  1  0.51  0.27  0.84  1.0
  Ni  Ni12  1  0.51  0.73  0.51  1.0
  Ni  Ni13  1  0.51  0.73  0.84  1.0
  Ni  Ni14  1  0.64  0.0  0.0  1.0
  Ni  Ni15  1  0.64  0.0  0.17  1.0
  Ni  Ni16  1  0.64  0.38  0.52  1.0
  Ni  Ni17  1  0.64  0.38  0.83  1.0
  Ni  Ni18  1  0.64  0.62  0.52  1.0
  Ni  Ni19  1  0.64  0.62  0.83  1.0
  Ni  Ni20  1  0.78  0.27  0.51  1.0
  Ni  Ni21  1  0.78  0.27  0.84  1.0
  Ni  Ni22  1  0.78  0.73  0.51  1.0
  Ni  Ni23  1  0.78  0.73  0.84  1.0
  Ni  Ni24  1  0.78  0.31  0.1  1.0
  Ni  Ni25  1  0.78  0.31  0.25  1.0
  Ni  Ni26  1  0.78  0.69  0.1  1.0
  Ni  Ni27  1  0.78  0.69  0.25  1.0
  Sn  Sn28  1  0.64  0.0  0.55  1.0
  Sn  Sn29  1  0.64  0.0  0.79  1.0
  Sn  Sn30  1  0.64  0.44  0.17  1.0
  Sn  Sn31  1  0.64  0.56  0.17  1.0

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