data_Fe6AgW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   10.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe6AgW
_chemical_formula_sum   'Fe24 Ag4 W4'
_cell_volume   409.57
_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
  Fe  Fe4  1  0.64  0.34  0.92  1.0
  Fe  Fe5  1  0.9  0.68  0.21  1.0
  Fe  Fe6  1  0.39  0.32  0.21  1.0
  Fe  Fe7  1  0.64  0.66  0.92  1.0
  Fe  Fe8  1  0.39  0.68  0.21  1.0
  Fe  Fe9  1  0.9  0.32  0.21  1.0
  Fe  Fe10  1  0.0  0.0  0.3  1.0
  Fe  Fe11  1  0.48  0.33  0.58  1.0
  Fe  Fe12  1  0.48  0.67  0.58  1.0
  Fe  Fe13  1  0.64  0.34  0.68  1.0
  Fe  Fe14  1  0.8  0.67  0.02  1.0
  Fe  Fe15  1  0.48  0.33  0.02  1.0
  Fe  Fe16  1  0.64  0.66  0.68  1.0
  Fe  Fe17  1  0.48  0.67  0.02  1.0
  Fe  Fe18  1  0.8  0.33  0.02  1.0
  Fe  Fe19  1  0.0  0.0  0.0  1.0
  Fe  Fe20  1  0.39  0.32  0.38  1.0
  Fe  Fe21  1  0.39  0.68  0.38  1.0
  Fe  Fe22  1  0.64  0.0  0.3  1.0
  Fe  Fe23  1  0.8  0.33  0.58  1.0
  Fe  Fe24  1  0.8  0.67  0.58  1.0
  Fe  Fe25  1  0.64  0.0  0.0  1.0
  Fe  Fe26  1  0.9  0.32  0.38  1.0
  Fe  Fe27  1  0.9  0.68  0.38  1.0
  Ag  Ag0  1  0.64  0.28  0.0  1.0
  Ag  Ag1  1  0.64  0.72  0.0  1.0
  Ag  Ag2  1  0.0  0.0  0.96  1.0
  Ag  Ag3  1  0.0  0.0  0.63  1.0
  W  W28  1  0.64  0.41  0.3  1.0
  W  W29  1  0.64  0.59  0.3  1.0
  W  W30  1  0.64  0.0  0.81  1.0
  W  W31  1  0.64  0.0  0.79  1.0

data_Fe6AgW
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   10.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe6AgW
_chemical_formula_sum   'Fe24 Ag4 W4'
_cell_volume   409.57
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.3  1.0
  Fe  Fe2  1  0.39  0.32  0.21  1.0
  Fe  Fe3  1  0.39  0.32  0.38  1.0
  Fe  Fe4  1  0.39  0.68  0.21  1.0
  Fe  Fe5  1  0.39  0.68  0.38  1.0
  Fe  Fe6  1  0.48  0.33  0.02  1.0
  Fe  Fe7  1  0.48  0.33  0.58  1.0
  Fe  Fe8  1  0.48  0.67  0.02  1.0
  Fe  Fe9  1  0.48  0.67  0.58  1.0
  Fe  Fe10  1  0.64  0.0  0.0  1.0
  Fe  Fe11  1  0.64  0.0  0.3  1.0
  Fe  Fe12  1  0.64  0.34  0.68  1.0
  Fe  Fe13  1  0.64  0.34  0.92  1.0
  Fe  Fe14  1  0.64  0.66  0.68  1.0
  Fe  Fe15  1  0.64  0.66  0.92  1.0
  Fe  Fe16  1  0.8  0.33  0.02  1.0
  Fe  Fe17  1  0.8  0.33  0.58  1.0
  Fe  Fe18  1  0.8  0.67  0.02  1.0
  Fe  Fe19  1  0.8  0.67  0.58  1.0
  Fe  Fe20  1  0.9  0.32  0.21  1.0
  Fe  Fe21  1  0.9  0.32  0.38  1.0
  Fe  Fe22  1  0.9  0.68  0.21  1.0
  Fe  Fe23  1  0.9  0.68  0.38  1.0
  Ag  Ag24  1  0.0  0.0  0.63  1.0
  Ag  Ag25  1  0.0  0.0  0.96  1.0
  Ag  Ag26  1  0.64  0.28  0.0  1.0
  Ag  Ag27  1  0.64  0.72  0.0  1.0
  W  W28  1  0.64  0.0  0.79  1.0
  W  W29  1  0.64  0.0  0.81  1.0
  W  W30  1  0.64  0.41  0.3  1.0
  W  W31  1  0.64  0.59  0.3  1.0

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