data_Yb(Al2Cu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   6.76
_cell_angle_alpha   98.25
_cell_angle_beta   98.25
_cell_angle_gamma   135.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb(Al2Cu)4
_chemical_formula_sum   'Yb1 Al8 Cu4'
_cell_volume   200.39
_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
  Yb  Yb0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.07  0.0  0.0  1.0
  Al  Al2  1  0.77  0.0  0.0  1.0
  Al  Al3  1  0.0  0.77  0.0  1.0
  Al  Al4  1  0.0  0.07  0.0  1.0
  Al  Al5  1  0.48  0.42  0.0  1.0
  Al  Al6  1  0.94  0.0  0.56  1.0
  Al  Al7  1  0.0  0.94  0.56  1.0
  Al  Al8  1  0.42  0.48  0.0  1.0
  Cu  Cu9  1  0.21  0.21  0.72  1.0
  Cu  Cu10  1  0.21  0.21  0.28  1.0
  Cu  Cu11  1  0.79  0.21  0.28  1.0
  Cu  Cu12  1  0.21  0.79  0.28  1.0

data_Yb(Al2Cu)4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.12
_cell_length_b   12.51
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   112.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Yb(Al2Cu)4
_chemical_formula_sum   'Yb2 Al16 Cu8'
_cell_volume   400.79
_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
  Yb  Yb0  2  0.0  0.0  0.0  1.0
  Al  Al1  4  0.05  0.47  -0.0  1.0
  Al  Al2  4  0.09  0.47  0.56  1.0
  Al  Al3  4  0.11  0.11  0.0  1.0
  Al  Al4  4  0.46  0.54  0.0  1.0
  Cu  Cu5  4  0.28  0.21  0.28  1.0
  Cu  Cu6  2  0.01  0.5  0.72  1.0
  Cu  Cu7  2  0.07  0.0  0.28  1.0

Yb Al Al Al Al Al Al Al Al Cu Cu Cu Cu