data_ScAl2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   136.11
_cell_angle_beta   136.11
_cell_angle_gamma   63.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl2W
_chemical_formula_sum   'Sc1 Al2 W1'
_cell_volume   68.0
_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
  Sc  Sc2  1  0.0  0.0  0.44  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.96  0.0  0.22  1.0
  W  W3  1  0.0  0.96  0.22  1.0

data_ScAl2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   5.23
_cell_angle_alpha   111.94
_cell_angle_beta   111.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl2W
_chemical_formula_sum   'Sc1 Al2 W1'
_cell_volume   68.0
_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
  Sc  Sc0  1  0.56  0.0  0.56  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.78  0.0  0.73  1.0
  W  W3  1  0.73  0.96  0.73  1.0

Sc Al Al W