data_YAlGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlGa2
_chemical_formula_sum   'Y1 Al1 Ga2'
_cell_volume   79.42
_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  0.29  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.33  0.0  0.38  1.0
  Ga  Ga2  1  0.33  0.0  0.19  1.0

data_YAlGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlGa2
_chemical_formula_sum   'Y1 Al1 Ga2'
_cell_volume   79.42
_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  0.29  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.33  0.0  0.19  1.0
  Ga  Ga3  1  0.33  0.0  0.38  1.0

Y Al Ga Ga
Y Al Ga Ga 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o o 2 3 o o o 