data_U6Fe16Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22
_cell_length_b   8.22
_cell_length_c   8.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U6Fe16Si7
_chemical_formula_sum   'U6 Fe16 Si7'
_cell_volume   392.45
_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
  U  U0  1  0.81  0.28  0.81  1.0
  U  U1  1  0.81  0.35  0.81  1.0
  U  U2  1  0.81  0.81  0.35  1.0
  U  U3  1  0.81  0.81  0.28  1.0
  U  U4  1  0.28  0.81  0.81  1.0
  U  U5  1  0.35  0.81  0.81  1.0
  Fe  Fe6  1  0.79  0.79  0.79  1.0
  Fe  Fe7  1  0.64  0.64  0.79  1.0
  Fe  Fe8  1  0.98  0.98  0.83  1.0
  Fe  Fe9  1  0.98  0.83  0.98  1.0
  Fe  Fe10  1  0.39  0.42  0.39  1.0
  Fe  Fe11  1  0.83  0.83  0.83  1.0
  Fe  Fe12  1  0.21  0.21  0.21  1.0
  Fe  Fe13  1  0.42  0.42  0.42  1.0
  Fe  Fe14  1  0.79  0.64  0.64  1.0
  Fe  Fe15  1  0.83  0.98  0.98  1.0
  Fe  Fe16  1  0.64  0.79  0.64  1.0
  Fe  Fe17  1  0.39  0.39  0.42  1.0
  Fe  Fe18  1  0.23  0.23  0.21  1.0
  Fe  Fe19  1  0.21  0.23  0.23  1.0
  Fe  Fe20  1  0.23  0.21  0.23  1.0
  Fe  Fe21  1  0.42  0.39  0.39  1.0
  Si  Si22  1  0.91  0.91  0.0  1.0
  Si  Si23  1  0.0  0.0  0.0  1.0
  Si  Si24  1  0.91  0.0  0.91  1.0
  Si  Si25  1  0.91  0.91  0.81  1.0
  Si  Si26  1  0.0  0.91  0.91  1.0
  Si  Si27  1  0.91  0.81  0.91  1.0
  Si  Si28  1  0.81  0.91  0.91  1.0

data_U6Fe16Si7
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.22
_cell_length_b   8.22
_cell_length_c   20.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   U6Fe16Si7
_chemical_formula_sum   'U18 Fe48 Si21'
_cell_volume   1177.34
_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+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  U  U0  9  0.02  0.51  0.7  1.0
  U  U1  9  0.18  0.36  0.01  1.0
  Fe  Fe2  9  0.01  0.01  0.6  1.0
  Fe  Fe3  9  0.01  0.01  0.78  1.0
  Fe  Fe4  9  0.05  0.1  0.31  1.0
  Fe  Fe5  9  0.1  0.05  0.07  1.0
  Fe  Fe6  3  0.0  0.0  0.17  1.0
  Fe  Fe7  3  0.0  0.0  0.21  1.0
  Fe  Fe8  3  0.0  0.0  0.58  1.0
  Fe  Fe9  3  0.0  0.0  0.79  1.0
  Si  Si10  9  0.03  0.06  0.06  1.0
  Si  Si11  9  0.06  0.03  0.13  1.0
  Si  Si12  3  0.0  0.0  0.0  1.0

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