data_U(AlFe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   97.92
_cell_angle_beta   97.92
_cell_angle_gamma   136.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U(AlFe2)4
_chemical_formula_sum   'U1 Al4 Fe8'
_cell_volume   172.86
_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
  U  U12  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.95  0.0  1.0
  Al  Al1  1  0.54  0.0  0.0  1.0
  Al  Al2  1  0.0  0.54  0.0  1.0
  Al  Al3  1  0.95  0.0  0.0  1.0
  Fe  Fe4  1  0.12  0.12  0.8  1.0
  Fe  Fe5  1  0.12  0.12  0.2  1.0
  Fe  Fe6  1  0.0  0.93  0.4  1.0
  Fe  Fe7  1  0.32  0.24  0.0  1.0
  Fe  Fe8  1  0.12  0.88  0.2  1.0
  Fe  Fe9  1  0.88  0.12  0.2  1.0
  Fe  Fe10  1  0.93  0.0  0.4  1.0
  Fe  Fe11  1  0.24  0.32  0.0  1.0

data_U(AlFe2)4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   12.0
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   111.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   U(AlFe2)4
_chemical_formula_sum   'U2 Al8 Fe16'
_cell_volume   345.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Al  Al1  4  0.03  0.03  -0.0  1.0
  Al  Al2  4  0.23  0.77  0.0  1.0
  Fe  Fe3  4  0.2  0.12  0.2  1.0
  Fe  Fe4  4  0.22  0.46  0.0  1.0
  Fe  Fe5  4  0.44  0.04  0.4  1.0
  Fe  Fe6  2  0.08  0.0  0.2  1.0
  Fe  Fe7  2  0.18  0.5  0.8  1.0

U Al Al Al Al Fe Fe Fe Fe Fe Fe Fe Fe
U Al Al Al Al Fe Fe Fe Fe Fe Fe Fe Fe 0 4 - o o 0 1 o - o 0 6 o o o 0 9 o - o 0 10 - o o 1 6 o + o 1 9 o o o 2 10 o o o 3 9 o o o 4 6 + o o 4 10 o o o 5 12 o o + 5 8 o o + 6 9 o - o 6 10 - o o 7 11 - + o 7 9 o o o 8 12 o o o 10 11 o o o 