data_VPb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   10.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPb2W
_chemical_formula_sum   'V1 Pb2 W1'
_cell_volume   90.6
_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
  V  V2  1  0.0  0.0  0.84  1.0
  Pb  Pb0  1  0.0  0.0  0.49  1.0
  Pb  Pb1  1  0.7  0.0  0.31  1.0
  W  W3  1  0.7  0.0  0.04  1.0

data_VPb2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   10.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPb2W
_chemical_formula_sum   'V1 Pb2 W1'
_cell_volume   90.6
_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
  V  V0  1  0.0  0.0  0.84  1.0
  Pb  Pb1  1  0.0  0.0  0.49  1.0
  Pb  Pb2  1  0.7  0.0  0.31  1.0
  W  W3  1  0.7  0.0  0.04  1.0

V Pb Pb W
V Pb Pb W 0 0 o + o 0 0 + o o 0 3 - o + 0 3 o o + 1 2 - o o 2 3 o o o 3 3 o + o 3 3 + o o 