data_YAl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   98.63
_cell_angle_beta   98.63
_cell_angle_gamma   134.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl4
_chemical_formula_sum   'Y1 Al4'
_cell_volume   98.0
_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  0.0  0.0  0.0  1.0
  Al  Al0  1  0.84  0.29  0.0  1.0
  Al  Al1  1  0.29  0.07  0.0  1.0
  Al  Al2  1  0.61  0.17  0.05  1.0
  Al  Al3  1  0.17  0.39  0.05  1.0

data_YAl4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   81.37
_cell_angle_beta   67.2
_cell_angle_gamma   67.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl4
_chemical_formula_sum   'Y1 Al4'
_cell_volume   98.0
_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  0.07  -0.0  0.22  1.0
  Al  Al2  1  0.11  0.05  0.44  1.0
  Al  Al3  1  0.29  -0.0  0.56  1.0
  Al  Al4  1  0.34  0.05  0.78  1.0

Y Al Al Al Al