data_Ni2PbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   2.89
_cell_angle_alpha   91.15
_cell_angle_beta   91.15
_cell_angle_gamma   105.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2PbW
_chemical_formula_sum   'Ni2 Pb1 W1'
_cell_volume   61.71
_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
  Ni  Ni0  1  0.37  0.12  0.45  1.0
  Ni  Ni1  1  0.37  0.88  0.45  1.0
  Pb  Pb2  1  0.84  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Ni2PbW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   105.65
_cell_angle_beta   91.15
_cell_angle_gamma   91.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2PbW
_chemical_formula_sum   'Ni2 Pb1 W1'
_cell_volume   61.71
_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
  Ni  Ni0  1  0.45  0.37  0.12  1.0
  Ni  Ni1  1  0.45  0.37  0.88  1.0
  Pb  Pb2  1  0.0  0.84  0.0  1.0
  W  W3  1  0.0  0.0  0.0  1.0

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