data_SrFe6Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   12.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe6Ni
_chemical_formula_sum   'Sr4 Fe24 Ni4'
_cell_volume   472.4
_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
  Sr  Sr28  1  0.38  0.56  0.16  1.0
  Sr  Sr29  1  0.38  0.44  0.16  1.0
  Sr  Sr30  1  0.38  0.0  0.04  1.0
  Sr  Sr31  1  0.38  0.0  0.29  1.0
  Fe  Fe0  1  0.38  0.02  0.61  1.0
  Fe  Fe1  1  0.57  0.8  0.3  1.0
  Fe  Fe2  1  0.18  0.2  0.3  1.0
  Fe  Fe3  1  0.38  0.98  0.61  1.0
  Fe  Fe4  1  0.18  0.8  0.3  1.0
  Fe  Fe5  1  0.57  0.2  0.3  1.0
  Fe  Fe6  1  0.38  0.0  0.0  1.0
  Fe  Fe7  1  0.62  0.48  0.2  1.0
  Fe  Fe8  1  0.62  0.52  0.2  1.0
  Fe  Fe9  1  0.38  0.02  0.71  1.0
  Fe  Fe10  1  0.13  0.52  0.13  1.0
  Fe  Fe11  1  0.62  0.48  0.13  1.0
  Fe  Fe12  1  0.38  0.98  0.71  1.0
  Fe  Fe13  1  0.62  0.52  0.13  1.0
  Fe  Fe14  1  0.13  0.48  0.13  1.0
  Fe  Fe15  1  0.38  0.0  0.16  1.0
  Fe  Fe16  1  0.18  0.2  0.03  1.0
  Fe  Fe17  1  0.18  0.8  0.03  1.0
  Fe  Fe18  1  0.0  0.0  0.0  1.0
  Fe  Fe19  1  0.13  0.48  0.2  1.0
  Fe  Fe20  1  0.13  0.52  0.2  1.0
  Fe  Fe21  1  0.0  0.0  0.16  1.0
  Fe  Fe22  1  0.57  0.2  0.03  1.0
  Fe  Fe23  1  0.57  0.8  0.03  1.0
  Ni  Ni24  1  0.38  0.71  0.0  1.0
  Ni  Ni25  1  0.38  0.29  0.0  1.0
  Ni  Ni26  1  0.0  0.0  0.46  1.0
  Ni  Ni27  1  0.0  0.0  0.86  1.0

data_SrFe6Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   12.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe6Ni
_chemical_formula_sum   'Sr4 Fe24 Ni4'
_cell_volume   472.4
_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
  Sr  Sr0  1  0.38  0.0  0.04  1.0
  Sr  Sr1  1  0.38  0.0  0.29  1.0
  Sr  Sr2  1  0.38  0.44  0.16  1.0
  Sr  Sr3  1  0.38  0.56  0.16  1.0
  Fe  Fe4  1  0.0  0.0  0.0  1.0
  Fe  Fe5  1  0.0  0.0  0.16  1.0
  Fe  Fe6  1  0.13  0.48  0.13  1.0
  Fe  Fe7  1  0.13  0.48  0.2  1.0
  Fe  Fe8  1  0.13  0.52  0.13  1.0
  Fe  Fe9  1  0.13  0.52  0.2  1.0
  Fe  Fe10  1  0.18  0.2  0.03  1.0
  Fe  Fe11  1  0.18  0.2  0.3  1.0
  Fe  Fe12  1  0.18  0.8  0.03  1.0
  Fe  Fe13  1  0.18  0.8  0.3  1.0
  Fe  Fe14  1  0.38  0.0  0.0  1.0
  Fe  Fe15  1  0.38  0.0  0.16  1.0
  Fe  Fe16  1  0.38  0.02  0.61  1.0
  Fe  Fe17  1  0.38  0.02  0.71  1.0
  Fe  Fe18  1  0.38  0.98  0.61  1.0
  Fe  Fe19  1  0.38  0.98  0.71  1.0
  Fe  Fe20  1  0.57  0.2  0.03  1.0
  Fe  Fe21  1  0.57  0.2  0.3  1.0
  Fe  Fe22  1  0.57  0.8  0.03  1.0
  Fe  Fe23  1  0.57  0.8  0.3  1.0
  Fe  Fe24  1  0.62  0.48  0.13  1.0
  Fe  Fe25  1  0.62  0.48  0.2  1.0
  Fe  Fe26  1  0.62  0.52  0.13  1.0
  Fe  Fe27  1  0.62  0.52  0.2  1.0
  Ni  Ni28  1  0.0  0.0  0.46  1.0
  Ni  Ni29  1  0.0  0.0  0.86  1.0
  Ni  Ni30  1  0.38  0.29  0.0  1.0
  Ni  Ni31  1  0.38  0.71  0.0  1.0

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