data_Al2PbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.89
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2PbW
_chemical_formula_sum   'Al2 Pb1 W1'
_cell_volume   78.39
_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
  Al  Al0  1  0.5  0.94  0.56  1.0
  Al  Al1  1  0.0  0.0  0.35  1.0
  Pb  Pb2  1  0.5  0.94  0.43  1.0
  W  W3  1  0.0  0.0  0.45  1.0

data_Al2PbW
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.89
_cell_length_b   3.0
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Al2PbW
_chemical_formula_sum   'Al2 Pb1 W1'
_cell_volume   78.39
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Al  Al0  1  0.0  0.5  0.35  1.0
  Al  Al1  1  0.94  0.0  0.56  1.0
  Pb  Pb2  1  0.94  0.0  0.43  1.0
  W  W3  1  0.0  0.5  0.45  1.0

Al Al Pb W
Al Al Pb W 0 2 o o o 1 3 o o o 