data_CuPbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPbW2
_chemical_formula_sum   'Cu1 Pb1 W2'
_cell_volume   69.64
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.25  1.0
  W  W2  1  0.83  0.0  0.67  1.0
  W  W3  1  0.83  0.0  0.82  1.0

data_CuPbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPbW2
_chemical_formula_sum   'Cu1 Pb1 W2'
_cell_volume   69.64
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.25  1.0
  W  W2  1  0.83  0.0  0.67  1.0
  W  W3  1  0.83  0.0  0.82  1.0

Cu Pb W W
Cu Pb W W 0 3 - o - 0 1 o o o 2 3 o o o 