data_Y3Al4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Al4
_chemical_formula_sum   'Y3 Al4'
_cell_volume   182.44
_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  Y4  1  0.6  0.78  0.56  1.0
  Y  Y5  1  0.21  0.0  0.56  1.0
  Y  Y6  1  0.4  0.78  0.56  1.0
  Al  Al0  1  0.0  0.0  0.81  1.0
  Al  Al1  1  0.0  0.0  0.3  1.0
  Al  Al2  1  0.0  0.71  0.0  1.0
  Al  Al3  1  0.21  0.85  0.0  1.0

data_Y3Al4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.11
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Al4
_chemical_formula_sum   'Y3 Al4'
_cell_volume   182.44
_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  0.56  0.21  0.0  1.0
  Y  Y1  1  0.56  0.4  0.78  1.0
  Y  Y2  1  0.56  0.6  0.78  1.0
  Al  Al3  1  -0.0  0.21  0.85  1.0
  Al  Al4  1  -0.0  -0.0  0.71  1.0
  Al  Al5  1  0.3  0.0  0.0  1.0
  Al  Al6  1  0.81  0.0  0.0  1.0

Y Y Y Al Al Al Al