data_BaAl2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.44
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   91.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAl2W
_chemical_formula_sum   'Ba1 Al2 W1'
_cell_volume   96.16
_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
  Ba  Ba2  1  0.12  0.0  0.65  1.0
  Al  Al0  1  0.41  0.0  0.77  1.0
  Al  Al1  1  0.59  0.22  0.34  1.0
  W  W3  1  0.92  0.22  0.42  1.0

data_BaAl2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.44
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   91.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAl2W
_chemical_formula_sum   'Ba1 Al2 W1'
_cell_volume   96.16
_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
  Ba  Ba0  1  0.12  0.0  0.65  1.0
  Al  Al1  1  0.41  0.0  0.77  1.0
  Al  Al2  1  0.59  0.22  0.34  1.0
  W  W3  1  0.92  0.22  0.42  1.0

Ba Al Al W