data_Fe24W5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52
_cell_length_b   7.52
_cell_length_c   7.52
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe24W5
_chemical_formula_sum   'Fe24 W5'
_cell_volume   327.86
_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
  Fe  Fe0  1  0.79  0.21  0.45  1.0
  Fe  Fe1  1  0.21  0.79  0.45  1.0
  Fe  Fe2  1  0.79  0.79  0.24  1.0
  Fe  Fe3  1  0.56  0.56  0.9  1.0
  Fe  Fe4  1  0.79  0.24  0.79  1.0
  Fe  Fe5  1  0.56  0.9  0.56  1.0
  Fe  Fe6  1  0.21  0.45  0.79  1.0
  Fe  Fe7  1  0.79  0.45  0.21  1.0
  Fe  Fe8  1  0.45  0.21  0.79  1.0
  Fe  Fe9  1  0.45  0.79  0.21  1.0
  Fe  Fe10  1  0.9  0.56  0.56  1.0
  Fe  Fe11  1  0.24  0.79  0.79  1.0
  Fe  Fe12  1  0.77  0.23  0.64  1.0
  Fe  Fe13  1  0.23  0.77  0.64  1.0
  Fe  Fe14  1  0.11  0.11  0.71  1.0
  Fe  Fe15  1  0.23  0.23  0.05  1.0
  Fe  Fe16  1  0.11  0.71  0.11  1.0
  Fe  Fe17  1  0.23  0.05  0.23  1.0
  Fe  Fe18  1  0.23  0.64  0.77  1.0
  Fe  Fe19  1  0.77  0.64  0.23  1.0
  Fe  Fe20  1  0.64  0.23  0.77  1.0
  Fe  Fe21  1  0.64  0.77  0.23  1.0
  Fe  Fe22  1  0.05  0.23  0.23  1.0
  Fe  Fe23  1  0.71  0.11  0.11  1.0
  W  W24  1  0.73  0.27  0.73  1.0
  W  W25  1  0.27  0.73  0.73  1.0
  W  W26  1  0.73  0.73  0.27  1.0
  W  W27  1  0.61  0.61  0.61  1.0
  W  W28  1  0.0  0.0  0.0  1.0

data_Fe24W5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.29
_cell_length_b   12.29
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Fe24W5
_chemical_formula_sum   'Fe72 W15'
_cell_volume   983.58
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  18  0.02  0.44  0.21  1.0
  Fe  Fe1  18  0.06  0.36  0.15  1.0
  Fe  Fe2  9  0.06  0.12  0.17  1.0
  Fe  Fe3  9  0.06  0.53  0.64  1.0
  Fe  Fe4  9  0.18  0.36  0.61  1.0
  Fe  Fe5  9  0.22  0.44  0.34  1.0
  W  W6  9  0.03  0.51  0.24  1.0
  W  W7  3  0.0  0.0  0.0  1.0
  W  W8  3  0.0  0.0  0.61  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 W W W W W