data_YMgAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   33.46
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgAl2
_chemical_formula_sum   'Y1 Mg1 Al2'
_cell_volume   88.43
_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  0.23  0.0  0.74  1.0
  Mg  Mg2  1  0.0  0.0  0.45  1.0
  Al  Al0  1  0.0  0.0  0.14  1.0
  Al  Al1  1  0.23  0.0  0.67  1.0

data_YMgAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.46
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   106.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgAl2
_chemical_formula_sum   'Y1 Mg1 Al2'
_cell_volume   88.43
_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  0.26  0.23  0.26  1.0
  Mg  Mg1  1  0.55  0.0  0.55  1.0
  Al  Al2  1  0.33  0.23  0.33  1.0
  Al  Al3  1  0.86  0.0  0.86  1.0

Y Mg Al Al
Y Mg Al Al 0 3 o o o 0 1 o o o 1 2 o o o 1 3 o o o 