data_BaPbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.48
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   92.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPbW2
_chemical_formula_sum   'Ba1 Pb1 W2'
_cell_volume   99.28
_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  0.21  0.0  0.04  1.0
  Pb  Pb1  1  0.41  0.74  0.8  1.0
  W  W2  1  0.01  0.0  0.37  1.0
  W  W3  1  0.66  0.74  0.45  1.0

data_BaPbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.48
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   92.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPbW2
_chemical_formula_sum   'Ba1 Pb1 W2'
_cell_volume   99.28
_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  0.21  0.0  0.04  1.0
  Pb  Pb1  1  0.41  0.74  0.8  1.0
  W  W2  1  0.01  0.0  0.37  1.0
  W  W3  1  0.66  0.74  0.45  1.0

Ba Pb W W