data_Y5Al4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03
_cell_length_b   9.03
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5Al4
_chemical_formula_sum   'Y10 Al8'
_cell_volume   456.16
_cell_formula_units_Z   2
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  Y8  1  0.23  0.59  0.85  1.0
  Y  Y9  1  0.57  0.0  0.85  1.0
  Y  Y10  1  0.71  0.23  0.85  1.0
  Y  Y11  1  0.29  0.23  0.62  1.0
  Y  Y12  1  0.45  0.0  0.62  1.0
  Y  Y13  1  0.77  0.59  0.62  1.0
  Y  Y14  1  0.0  0.21  0.23  1.0
  Y  Y15  1  0.51  0.61  0.0  1.0
  Y  Y16  1  0.51  0.61  0.23  1.0
  Y  Y17  1  0.0  0.21  0.0  1.0
  Al  Al0  1  0.0  0.0  0.23  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.67  0.89  0.85  1.0
  Al  Al3  1  0.69  0.0  0.85  1.0
  Al  Al4  1  0.16  0.93  0.85  1.0
  Al  Al5  1  0.84  0.93  0.62  1.0
  Al  Al6  1  0.34  0.0  0.62  1.0
  Al  Al7  1  0.33  0.89  0.62  1.0

data_Y5Al4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.46
_cell_length_b   9.03
_cell_length_c   9.03
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5Al4
_chemical_formula_sum   'Y10 Al8'
_cell_volume   456.16
_cell_formula_units_Z   2
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  0.51  0.61  1.0
  Y  Y1  1  0.0  0.0  0.21  1.0
  Y  Y2  1  0.23  0.0  0.21  1.0
  Y  Y3  1  0.23  0.51  0.61  1.0
  Y  Y4  1  0.62  0.29  0.23  1.0
  Y  Y5  1  0.62  0.45  0.0  1.0
  Y  Y6  1  0.62  0.77  0.59  1.0
  Y  Y7  1  0.85  0.23  0.59  1.0
  Y  Y8  1  0.85  0.57  0.0  1.0
  Y  Y9  1  0.85  0.71  0.23  1.0
  Al  Al10  1  0.0  0.0  0.0  1.0
  Al  Al11  1  0.23  0.0  0.0  1.0
  Al  Al12  1  0.62  0.33  0.89  1.0
  Al  Al13  1  0.62  0.34  0.0  1.0
  Al  Al14  1  0.62  0.84  0.93  1.0
  Al  Al15  1  0.85  0.16  0.93  1.0
  Al  Al16  1  0.85  0.67  0.89  1.0
  Al  Al17  1  0.85  0.69  0.0  1.0

Y Y Y Y Y Y Y Y Y Y Al Al Al Al Al Al Al Al