data_Y2AlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   132.47
_cell_angle_beta   132.47
_cell_angle_gamma   69.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AlW
_chemical_formula_sum   'Y2 Al1 W1'
_cell_volume   87.86
_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  Y2  1  0.0  0.0  0.5  1.0
  Y  Y3  1  0.0  0.21  0.25  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.21  0.0  0.25  1.0

data_Y2AlW
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   5.48
_cell_angle_alpha   113.77
_cell_angle_beta   113.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AlW
_chemical_formula_sum   'Y2 Al1 W1'
_cell_volume   87.86
_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  0.5  0.0  0.5  1.0
  Y  Y1  1  0.96  0.21  0.96  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.75  0.0  0.96  1.0

Y Y Al W
Y Y Al W 0 1 o o o 0 3 o o o 0 2 o o o 0 2 o o + 1 2 o o o 2 3 o o o 