data_PbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   17.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbW2
_chemical_formula_sum   'Pb8 W16'
_cell_volume   473.8
_cell_formula_units_Z   8
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
  Pb  Pb0  1  0.0  0.0  0.66  1.0
  Pb  Pb1  1  0.0  0.0  0.31  1.0
  Pb  Pb2  1  0.0  0.0  0.67  1.0
  Pb  Pb3  1  0.0  0.0  0.3  1.0
  Pb  Pb4  1  0.0  0.19  0.18  1.0
  Pb  Pb5  1  0.76  0.59  0.79  1.0
  Pb  Pb6  1  0.76  0.59  0.16  1.0
  Pb  Pb7  1  0.0  0.19  0.81  1.0
  W  W8  1  0.0  0.19  0.3  1.0
  W  W9  1  0.76  0.59  0.67  1.0
  W  W10  1  0.76  0.59  0.32  1.0
  W  W11  1  0.0  0.19  0.65  1.0
  W  W12  1  0.38  0.39  0.98  1.0
  W  W13  1  0.76  0.0  0.98  1.0
  W  W14  1  0.62  0.39  0.98  1.0
  W  W15  1  0.38  0.39  0.0  1.0
  W  W16  1  0.76  0.0  0.0  1.0
  W  W17  1  0.62  0.39  0.0  1.0
  W  W18  1  0.57  0.01  0.48  1.0
  W  W19  1  0.0  0.54  0.48  1.0
  W  W20  1  0.43  0.01  0.48  1.0
  W  W21  1  0.18  0.77  0.49  1.0
  W  W22  1  0.76  0.24  0.49  1.0
  W  W23  1  0.33  0.77  0.49  1.0

data_PbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   17.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbW2
_chemical_formula_sum   'Pb8 W16'
_cell_volume   473.8
_cell_formula_units_Z   8
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
  Pb  Pb0  1  0.0  0.0  0.3  1.0
  Pb  Pb1  1  0.0  0.0  0.31  1.0
  Pb  Pb2  1  0.0  0.0  0.66  1.0
  Pb  Pb3  1  0.0  0.0  0.67  1.0
  Pb  Pb4  1  0.0  0.19  0.18  1.0
  Pb  Pb5  1  0.0  0.19  0.81  1.0
  Pb  Pb6  1  0.76  0.59  0.16  1.0
  Pb  Pb7  1  0.76  0.59  0.79  1.0
  W  W8  1  0.0  0.19  0.3  1.0
  W  W9  1  0.0  0.19  0.65  1.0
  W  W10  1  0.0  0.54  0.48  1.0
  W  W11  1  0.18  0.77  0.49  1.0
  W  W12  1  0.33  0.77  0.49  1.0
  W  W13  1  0.38  0.39  -0.0  1.0
  W  W14  1  0.38  0.39  0.98  1.0
  W  W15  1  0.43  0.01  0.48  1.0
  W  W16  1  0.57  0.01  0.48  1.0
  W  W17  1  0.62  0.39  -0.0  1.0
  W  W18  1  0.62  0.39  0.98  1.0
  W  W19  1  0.76  0.0  0.0  1.0
  W  W20  1  0.76  0.0  0.98  1.0
  W  W21  1  0.76  0.24  0.49  1.0
  W  W22  1  0.76  0.59  0.32  1.0
  W  W23  1  0.76  0.59  0.67  1.0

Pb Pb Pb Pb Pb Pb Pb Pb W W W W W W W W W W W W W W W W