data_Y(AlFe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   98.32
_cell_angle_beta   98.32
_cell_angle_gamma   135.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y(AlFe2)4
_chemical_formula_sum   'Y1 Al4 Fe8'
_cell_volume   178.11
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.93  0.0  1.0
  Al  Al2  1  0.0  0.56  0.0  1.0
  Al  Al3  1  0.93  0.0  0.0  1.0
  Al  Al4  1  0.56  0.0  0.0  1.0
  Fe  Fe5  1  0.12  0.12  0.24  1.0
  Fe  Fe6  1  0.12  0.12  0.76  1.0
  Fe  Fe7  1  0.12  0.88  0.24  1.0
  Fe  Fe8  1  0.88  0.12  0.24  1.0
  Fe  Fe9  1  0.25  0.27  0.0  1.0
  Fe  Fe10  1  0.0  0.98  0.47  1.0
  Fe  Fe11  1  0.27  0.25  0.0  1.0
  Fe  Fe12  1  0.98  0.0  0.47  1.0

data_Y(AlFe2)4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   12.01
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   112.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y(AlFe2)4
_chemical_formula_sum   'Y2 Al8 Fe16'
_cell_volume   356.22
_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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Al  Al1  4  0.03  0.03  -0.0  1.0
  Al  Al2  4  0.22  0.22  -0.0  1.0
  Fe  Fe3  4  0.24  0.12  0.24  1.0
  Fe  Fe4  4  0.24  0.49  -0.0  1.0
  Fe  Fe5  4  0.48  0.01  0.47  1.0
  Fe  Fe6  2  0.11  0.0  0.24  1.0
  Fe  Fe7  2  0.14  0.5  0.76  1.0

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