data_YAlSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   133.78
_cell_angle_beta   133.78
_cell_angle_gamma   67.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlSi2
_chemical_formula_sum   'Y1 Al1 Si2'
_cell_volume   72.72
_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  Y3  1  0.0  0.0  0.34  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.05  0.0  0.17  1.0
  Si  Si2  1  0.0  0.05  0.17  1.0

data_YAlSi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   123.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YAlSi2
_chemical_formula_sum   'Y2 Al2 Si4'
_cell_volume   145.44
_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  0.16  0.5  0.66  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Si  Si2  4  0.35  0.48  0.88  1.0

Y Al Si Si