data_LaAl2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   122.21
_cell_angle_beta   122.21
_cell_angle_gamma   86.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAl2W
_chemical_formula_sum   'La1 Al2 W1'
_cell_volume   75.06
_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
  La  La2  1  0.0  0.0  0.5  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.32  0.0  0.75  1.0
  W  W3  1  0.0  0.32  0.75  1.0

data_LaAl2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.79
_cell_angle_alpha   118.89
_cell_angle_beta   118.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAl2W
_chemical_formula_sum   'La1 Al2 W1'
_cell_volume   75.06
_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
  La  La0  1  0.5  0.5  0.5  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.75  0.43  0.43  1.0
  W  W3  1  0.43  0.75  0.43  1.0

La Al Al W