data_LaPb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   4.95
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   100.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPb2W
_chemical_formula_sum   'La1 Pb2 W1'
_cell_volume   102.01
_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  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.82  0.48  0.72  1.0
  Pb  Pb2  1  0.29  0.48  0.59  1.0
  W  W3  1  0.05  0.0  0.15  1.0

data_LaPb2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.95
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   100.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPb2W
_chemical_formula_sum   'La1 Pb2 W1'
_cell_volume   102.01
_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  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.29  0.48  0.59  1.0
  Pb  Pb2  1  0.82  0.48  0.72  1.0
  W  W3  1  0.05  0.0  0.15  1.0

La Pb Pb W
La Pb Pb W 0 3 o o o 1 2 o o o 1 2 + o o 